----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:11:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.564626570273772 0.000000000000000 0.000000000000000 b 0.000000000000000 6.710170690000000 0.000000000000000 c -3.879131724216666 0.000000000000000 12.269639584102316 Atomic positions (fractional): *1 Na 0.90701412022290 0.35176841077243 0.41267061970655 22.990 *2 Na 0.65622839543956 0.07272779070178 0.09999114739398 22.990 *3 Na 0.73784685123136 0.73408331547160 0.42326667038069 22.990 4 Na 0.90701412022290 0.14823158922757 0.91267061970654 22.990 5 Na 0.65622839543956 0.42727220929822 0.59999114739398 22.990 6 Na 0.73784685123136 0.76591668452840 0.92326667038069 22.990 7 Na 0.26215314876864 0.23408331547160 0.07673332961930 22.990 8 Na 0.34377160456044 0.57272779070178 0.40000885260602 22.990 9 Na 0.09298587977710 0.85176841077243 0.08732938029345 22.990 10 Na 0.26215314876864 0.26591668452840 0.57673332961931 22.990 11 Na 0.34377160456044 0.92727220929822 0.90000885260602 22.990 12 Na 0.09298587977710 0.64823158922757 0.58732938029346 22.990 *13 Cu 0.94882048207764 0.43071406015915 0.09522483768629 63.546 *14 Cu 0.93154182313907 0.67784435518593 0.25380231303785 63.546 15 Cu 0.94882048207764 0.06928593984085 0.59522483768629 63.546 *16 Cu 0.68580565736111 0.53098784466945 0.11128204355945 63.546 17 Cu 0.93154182313907 0.82215564481407 0.75380231303785 63.546 *18 Cu 0.56198317543664 0.41449469828971 0.26484947219455 63.546 19 Cu 0.68580565736111 0.96901215533055 0.61128204355945 63.546 *20 Cu 0.41273145051306 0.65200505179319 0.09438932334071 63.546 21 Cu 0.58726854948694 0.15200505179319 0.40561067665929 63.546 22 Cu 0.43801682456336 0.91449469828971 0.23515052780545 63.546 23 Cu 0.56198317543664 0.08550530171029 0.76484947219455 63.546 24 Cu 0.41273145051306 0.84799494820681 0.59438932334071 63.546 25 Cu 0.58726854948694 0.34799494820681 0.90561067665929 63.546 26 Cu 0.31419434263889 0.03098784466944 0.38871795644055 63.546 27 Cu 0.43801682456336 0.58550530171029 0.73515052780545 63.546 28 Cu 0.06845817686093 0.17784435518593 0.24619768696215 63.546 29 Cu 0.31419434263889 0.46901215533056 0.88871795644055 63.546 30 Cu 0.05117951792236 0.93071406015915 0.40477516231371 63.546 31 Cu 0.06845817686093 0.32215564481407 0.74619768696215 63.546 32 Cu 0.05117951792236 0.56928593984085 0.90477516231371 63.546 *33 O 0.01114123283932 0.17259338717445 0.09921104535686 15.999 *34 O 0.86471817590524 0.68324320962085 0.10396933663581 15.999 35 O 0.01114123283932 0.32740661282555 0.59921104535686 15.999 36 O 0.86471817590524 0.81675679037915 0.60396933663581 15.999 *37 O 0.50036905952287 0.39460469335754 0.11627104588782 15.999 *38 O 0.62798434823865 0.42003950155926 0.41341601973165 15.999 39 O 0.37201565176135 0.92003950155926 0.08658398026835 15.999 40 O 0.49963094047713 0.89460469335754 0.38372895411218 15.999 41 O 0.50036905952287 0.10539530664247 0.61627104588782 15.999 42 O 0.62798434823865 0.07996049844074 0.91341601973165 15.999 43 O 0.37201565176135 0.57996049844074 0.58658398026835 15.999 44 O 0.49963094047713 0.60539530664246 0.88372895411218 15.999 45 O 0.13528182409476 0.18324320962085 0.39603066336419 15.999 46 O 0.98885876716068 0.67259338717445 0.40078895464314 15.999 47 O 0.13528182409476 0.31675679037915 0.89603066336419 15.999 48 O 0.98885876716068 0.82740661282555 0.90078895464314 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.564626570273772 0.000000000000000 0.000000000000000 b 0.000000000000000 6.710170690000000 0.000000000000000 c -3.879131724216666 0.000000000000000 12.269639584102316 Atomic positions (fractional): *1 Na 0.90701412022290 0.35176841077243 0.41267061970655 22.990 > 1 *2 Na 0.65622839543956 0.07272779070178 0.09999114739398 22.990 > 2 *3 Na 0.73784685123136 0.73408331547160 0.42326667038069 22.990 > 3 4 Na 0.90701412022290 0.14823158922757 0.91267061970654 22.990 > 4 5 Na 0.65622839543956 0.42727220929822 0.59999114739398 22.990 > 5 6 Na 0.73784685123136 0.76591668452840 0.92326667038069 22.990 > 6 7 Na 0.26215314876864 0.23408331547160 0.07673332961930 22.990 > 7 8 Na 0.34377160456044 0.57272779070178 0.40000885260602 22.990 > 8 9 Na 0.09298587977710 0.85176841077243 0.08732938029345 22.990 > 9 10 Na 0.26215314876864 0.26591668452840 0.57673332961931 22.990 > 10 11 Na 0.34377160456044 0.92727220929822 0.90000885260602 22.990 > 11 12 Na 0.09298587977710 0.64823158922757 0.58732938029346 22.990 > 12 *13 Cu 0.94882048207764 0.43071406015915 0.09522483768629 63.546 > 13 *14 Cu 0.93154182313907 0.67784435518593 0.25380231303785 63.546 > 14 15 Cu 0.94882048207764 0.06928593984085 0.59522483768629 63.546 > 15 *16 Cu 0.68580565736111 0.53098784466945 0.11128204355945 63.546 > 16 17 Cu 0.93154182313907 0.82215564481407 0.75380231303785 63.546 > 17 *18 Cu 0.56198317543664 0.41449469828971 0.26484947219455 63.546 > 18 19 Cu 0.68580565736111 0.96901215533055 0.61128204355945 63.546 > 19 *20 Cu 0.41273145051306 0.65200505179319 0.09438932334071 63.546 > 20 21 Cu 0.58726854948694 0.15200505179319 0.40561067665929 63.546 > 21 22 Cu 0.43801682456336 0.91449469828971 0.23515052780545 63.546 > 22 23 Cu 0.56198317543664 0.08550530171029 0.76484947219455 63.546 > 23 24 Cu 0.41273145051306 0.84799494820681 0.59438932334071 63.546 > 24 25 Cu 0.58726854948694 0.34799494820681 0.90561067665929 63.546 > 25 26 Cu 0.31419434263889 0.03098784466944 0.38871795644055 63.546 > 26 27 Cu 0.43801682456336 0.58550530171029 0.73515052780545 63.546 > 27 28 Cu 0.06845817686093 0.17784435518593 0.24619768696215 63.546 > 28 29 Cu 0.31419434263889 0.46901215533056 0.88871795644055 63.546 > 29 30 Cu 0.05117951792236 0.93071406015915 0.40477516231371 63.546 > 30 31 Cu 0.06845817686093 0.32215564481407 0.74619768696215 63.546 > 31 32 Cu 0.05117951792236 0.56928593984085 0.90477516231371 63.546 > 32 *33 O 0.01114123283932 0.17259338717445 0.09921104535686 15.999 > 33 *34 O 0.86471817590524 0.68324320962085 0.10396933663581 15.999 > 34 35 O 0.01114123283932 0.32740661282555 0.59921104535686 15.999 > 35 36 O 0.86471817590524 0.81675679037915 0.60396933663581 15.999 > 36 *37 O 0.50036905952287 0.39460469335754 0.11627104588782 15.999 > 37 *38 O 0.62798434823865 0.42003950155926 0.41341601973165 15.999 > 38 39 O 0.37201565176135 0.92003950155926 0.08658398026835 15.999 > 39 40 O 0.49963094047713 0.89460469335754 0.38372895411218 15.999 > 40 41 O 0.50036905952287 0.10539530664247 0.61627104588782 15.999 > 41 42 O 0.62798434823865 0.07996049844074 0.91341601973165 15.999 > 42 43 O 0.37201565176135 0.57996049844074 0.58658398026835 15.999 > 43 44 O 0.49963094047713 0.60539530664246 0.88372895411218 15.999 > 44 45 O 0.13528182409476 0.18324320962085 0.39603066336419 15.999 > 45 46 O 0.98885876716068 0.67259338717445 0.40078895464314 15.999 > 46 47 O 0.13528182409476 0.31675679037915 0.89603066336419 15.999 > 47 48 O 0.98885876716068 0.82740661282555 0.90078895464314 15.999 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.564626570273772 0.000000000000000 0.000000000000000 b 0.000000000000000 13.420341380000000 0.000000000000000 c -3.879131724216666 0.000000000000000 12.269639584102316 Atomic positions (fractional): *1 Na 0.90701412022290 0.17588420538622 0.41267061970655 22.990 > 1 2 Na 0.90701412022290 0.67588420538622 0.41267061970655 22.990 > 1 *3 Na 0.65622839543956 0.03636389535089 0.09999114739398 22.990 > 2 4 Na 0.65622839543956 0.53636389535089 0.09999114739398 22.990 > 2 *5 Na 0.73784685123136 0.36704165773580 0.42326667038069 22.990 > 3 6 Na 0.73784685123136 0.86704165773580 0.42326667038069 22.990 > 3 7 Na 0.90701412022290 0.07411579461378 0.91267061970654 22.990 > 4 8 Na 0.90701412022290 0.57411579461378 0.91267061970654 22.990 > 4 9 Na 0.65622839543956 0.21363610464911 0.59999114739398 22.990 > 5 10 Na 0.65622839543956 0.71363610464911 0.59999114739398 22.990 > 5 11 Na 0.73784685123136 0.38295834226420 0.92326667038069 22.990 > 6 12 Na 0.73784685123136 0.88295834226420 0.92326667038069 22.990 > 6 13 Na 0.26215314876864 0.11704165773580 0.07673332961930 22.990 > 7 14 Na 0.26215314876864 0.61704165773580 0.07673332961930 22.990 > 7 15 Na 0.34377160456044 0.28636389535089 0.40000885260602 22.990 > 8 16 Na 0.34377160456044 0.78636389535089 0.40000885260602 22.990 > 8 17 Na 0.09298587977710 0.42588420538622 0.08732938029345 22.990 > 9 18 Na 0.09298587977710 0.92588420538622 0.08732938029345 22.990 > 9 19 Na 0.26215314876864 0.13295834226420 0.57673332961931 22.990 > 10 20 Na 0.26215314876864 0.63295834226420 0.57673332961931 22.990 > 10 21 Na 0.34377160456044 0.46363610464911 0.90000885260602 22.990 > 11 22 Na 0.34377160456044 0.96363610464911 0.90000885260602 22.990 > 11 23 Na 0.09298587977710 0.32411579461378 0.58732938029346 22.990 > 12 24 Na 0.09298587977710 0.82411579461378 0.58732938029346 22.990 > 12 *25 Cu 0.94882048207764 0.21535703007958 0.09522483768629 63.546 > 13 26 Cu 0.94882048207764 0.71535703007958 0.09522483768629 63.546 > 13 *27 Cu 0.93154182313907 0.33892217759297 0.25380231303785 63.546 > 14 28 Cu 0.93154182313907 0.83892217759297 0.25380231303785 63.546 > 14 29 Cu 0.94882048207764 0.03464296992042 0.59522483768629 63.546 > 15 30 Cu 0.94882048207764 0.53464296992042 0.59522483768629 63.546 > 15 *31 Cu 0.68580565736111 0.26549392233472 0.11128204355945 63.546 > 16 32 Cu 0.68580565736111 0.76549392233472 0.11128204355945 63.546 > 16 33 Cu 0.93154182313907 0.41107782240703 0.75380231303785 63.546 > 17 34 Cu 0.93154182313907 0.91107782240703 0.75380231303785 63.546 > 17 *35 Cu 0.56198317543664 0.20724734914486 0.26484947219455 63.546 > 18 36 Cu 0.56198317543664 0.70724734914486 0.26484947219455 63.546 > 18 37 Cu 0.68580565736111 0.48450607766528 0.61128204355945 63.546 > 19 38 Cu 0.68580565736111 0.98450607766528 0.61128204355945 63.546 > 19 *39 Cu 0.41273145051306 0.32600252589660 0.09438932334071 63.546 > 20 40 Cu 0.41273145051306 0.82600252589660 0.09438932334071 63.546 > 20 41 Cu 0.58726854948694 0.07600252589660 0.40561067665929 63.546 > 21 42 Cu 0.58726854948694 0.57600252589660 0.40561067665929 63.546 > 21 43 Cu 0.43801682456336 0.45724734914486 0.23515052780545 63.546 > 22 44 Cu 0.43801682456336 0.95724734914486 0.23515052780545 63.546 > 22 45 Cu 0.56198317543664 0.04275265085514 0.76484947219455 63.546 > 23 46 Cu 0.56198317543664 0.54275265085514 0.76484947219455 63.546 > 23 47 Cu 0.41273145051306 0.42399747410340 0.59438932334071 63.546 > 24 48 Cu 0.41273145051306 0.92399747410340 0.59438932334071 63.546 > 24 49 Cu 0.58726854948694 0.17399747410340 0.90561067665929 63.546 > 25 50 Cu 0.58726854948694 0.67399747410340 0.90561067665929 63.546 > 25 51 Cu 0.31419434263889 0.01549392233472 0.38871795644055 63.546 > 26 52 Cu 0.31419434263889 0.51549392233472 0.38871795644055 63.546 > 26 53 Cu 0.43801682456336 0.29275265085514 0.73515052780545 63.546 > 27 54 Cu 0.43801682456336 0.79275265085514 0.73515052780545 63.546 > 27 55 Cu 0.06845817686093 0.08892217759297 0.24619768696215 63.546 > 28 56 Cu 0.06845817686093 0.58892217759297 0.24619768696215 63.546 > 28 57 Cu 0.31419434263889 0.23450607766528 0.88871795644055 63.546 > 29 58 Cu 0.31419434263889 0.73450607766528 0.88871795644055 63.546 > 29 59 Cu 0.05117951792236 0.46535703007958 0.40477516231371 63.546 > 30 60 Cu 0.05117951792236 0.96535703007958 0.40477516231371 63.546 > 30 61 Cu 0.06845817686093 0.16107782240703 0.74619768696215 63.546 > 31 62 Cu 0.06845817686093 0.66107782240703 0.74619768696215 63.546 > 31 63 Cu 0.05117951792236 0.28464296992042 0.90477516231371 63.546 > 32 64 Cu 0.05117951792236 0.78464296992042 0.90477516231371 63.546 > 32 *65 O 0.01114123283932 0.08629669358723 0.09921104535686 15.999 > 33 66 O 0.01114123283932 0.58629669358723 0.09921104535686 15.999 > 33 *67 O 0.86471817590524 0.34162160481042 0.10396933663581 15.999 > 34 68 O 0.86471817590524 0.84162160481042 0.10396933663581 15.999 > 34 69 O 0.01114123283932 0.16370330641277 0.59921104535686 15.999 > 35 70 O 0.01114123283932 0.66370330641277 0.59921104535686 15.999 > 35 71 O 0.86471817590524 0.40837839518958 0.60396933663581 15.999 > 36 72 O 0.86471817590524 0.90837839518958 0.60396933663581 15.999 > 36 *73 O 0.50036905952287 0.19730234667877 0.11627104588782 15.999 > 37 74 O 0.50036905952287 0.69730234667877 0.11627104588782 15.999 > 37 *75 O 0.62798434823865 0.21001975077963 0.41341601973165 15.999 > 38 76 O 0.62798434823865 0.71001975077963 0.41341601973165 15.999 > 38 77 O 0.37201565176135 0.46001975077963 0.08658398026835 15.999 > 39 78 O 0.37201565176135 0.96001975077963 0.08658398026835 15.999 > 39 79 O 0.49963094047713 0.44730234667877 0.38372895411218 15.999 > 40 80 O 0.49963094047713 0.94730234667877 0.38372895411218 15.999 > 40 81 O 0.50036905952287 0.05269765332123 0.61627104588782 15.999 > 41 82 O 0.50036905952287 0.55269765332123 0.61627104588782 15.999 > 41 83 O 0.62798434823865 0.03998024922037 0.91341601973165 15.999 > 42 84 O 0.62798434823865 0.53998024922037 0.91341601973165 15.999 > 42 85 O 0.37201565176135 0.28998024922037 0.58658398026835 15.999 > 43 86 O 0.37201565176135 0.78998024922037 0.58658398026835 15.999 > 43 87 O 0.49963094047713 0.30269765332123 0.88372895411218 15.999 > 44 88 O 0.49963094047713 0.80269765332123 0.88372895411218 15.999 > 44 89 O 0.13528182409476 0.09162160481042 0.39603066336419 15.999 > 45 90 O 0.13528182409476 0.59162160481042 0.39603066336419 15.999 > 45 91 O 0.98885876716068 0.33629669358723 0.40078895464314 15.999 > 46 92 O 0.98885876716068 0.83629669358723 0.40078895464314 15.999 > 46 93 O 0.13528182409476 0.15837839518958 0.89603066336419 15.999 > 47 94 O 0.13528182409476 0.65837839518958 0.89603066336419 15.999 > 47 95 O 0.98885876716068 0.41370330641277 0.90078895464314 15.999 > 48 96 O 0.98885876716068 0.91370330641277 0.90078895464314 15.999 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7150685 0.0000000 0.0078242 0.0000000 5.0624138 0.0000000 0.0078240 0.0000000 6.0529899 -------------------------- Born effective charges -------------------------- 1 Na 1.1976752 -0.0109603 -0.0683023 0.0028932 1.1269836 -0.1444243 0.0269795 -0.1791516 1.0972824 2 Na 1.1903310 -0.0032699 -0.0395361 0.0793309 1.3727202 -0.1250569 -0.0815532 -0.0818569 1.1277591 3 Na 1.1602189 -0.0457892 0.0340573 0.0139574 1.1344979 0.2230790 -0.0033646 0.2060675 1.0540964 4 Na 1.1976752 0.0109603 -0.0683023 -0.0028932 1.1269836 0.1444243 0.0269795 0.1791516 1.0972824 5 Na 1.1903310 0.0032699 -0.0395361 -0.0793309 1.3727202 0.1250569 -0.0815532 0.0818569 1.1277591 6 Na 1.1602189 0.0457892 0.0340573 -0.0139574 1.1344979 -0.2230790 -0.0033646 -0.2060675 1.0540964 7 Na 1.1602189 0.0457892 0.0340573 -0.0139574 1.1344979 -0.2230790 -0.0033646 -0.2060675 1.0540964 8 Na 1.1903310 0.0032699 -0.0395361 -0.0793309 1.3727202 0.1250569 -0.0815532 0.0818569 1.1277591 9 Na 1.1976752 0.0109603 -0.0683023 -0.0028932 1.1269836 0.1444243 0.0269795 0.1791516 1.0972824 10 Na 1.1602189 -0.0457892 0.0340573 0.0139574 1.1344979 0.2230790 -0.0033646 0.2060675 1.0540964 11 Na 1.1903310 -0.0032699 -0.0395361 0.0793309 1.3727202 -0.1250569 -0.0815532 -0.0818569 1.1277591 12 Na 1.1976752 -0.0109603 -0.0683023 0.0028932 1.1269836 -0.1444243 0.0269795 -0.1791516 1.0972824 13 Cu 0.0310230 -0.7411106 -0.2057369 -0.4756222 1.2561736 -0.0443232 -0.1910915 -0.1276076 -0.0278605 14 Cu -0.3859212 0.1047438 0.1384994 0.0289123 -0.1246496 0.4205250 0.0010977 0.0240721 1.5039190 15 Cu 0.0310230 0.7411106 -0.2057369 0.4756222 1.2561736 0.0443232 -0.1910915 0.1276076 -0.0278605 16 Cu 1.2764454 0.4308498 0.0603219 0.3316151 0.2254254 0.0658161 0.0316540 0.0513018 0.3896222 17 Cu -0.3859212 -0.1047438 0.1384994 -0.0289123 -0.1246496 -0.4205250 0.0010977 -0.0240721 1.5039190 18 Cu -0.3972439 0.1012821 -0.2030904 0.0843110 -0.0661604 -0.3614320 -0.0192675 0.0093826 1.5912014 19 Cu 1.2764454 -0.4308498 0.0603219 -0.3316151 0.2254254 -0.0658161 0.0316540 -0.0513018 0.3896222 20 Cu -0.0097905 -0.6217980 0.1564612 -0.3839999 1.2211802 0.0274792 0.0950792 0.1682641 0.2736992 21 Cu -0.0097905 0.6217980 0.1564612 0.3839999 1.2211802 -0.0274792 0.0950792 -0.1682641 0.2736992 22 Cu -0.3972439 -0.1012821 -0.2030904 -0.0843110 -0.0661604 0.3614320 -0.0192675 -0.0093826 1.5912014 23 Cu -0.3972439 -0.1012821 -0.2030904 -0.0843110 -0.0661604 0.3614320 -0.0192675 -0.0093826 1.5912014 24 Cu -0.0097905 0.6217980 0.1564612 0.3839999 1.2211802 -0.0274792 0.0950792 -0.1682641 0.2736992 25 Cu -0.0097905 -0.6217980 0.1564612 -0.3839999 1.2211802 0.0274792 0.0950792 0.1682641 0.2736992 26 Cu 1.2764454 -0.4308498 0.0603219 -0.3316151 0.2254254 -0.0658161 0.0316540 -0.0513018 0.3896222 27 Cu -0.3972439 0.1012821 -0.2030904 0.0843110 -0.0661604 -0.3614320 -0.0192675 0.0093826 1.5912014 28 Cu -0.3859212 -0.1047438 0.1384994 -0.0289123 -0.1246496 -0.4205250 0.0010977 -0.0240721 1.5039190 29 Cu 1.2764454 0.4308498 0.0603219 0.3316151 0.2254254 0.0658161 0.0316540 0.0513018 0.3896222 30 Cu 0.0310230 0.7411106 -0.2057369 0.4756222 1.2561736 0.0443232 -0.1910915 0.1276076 -0.0278605 31 Cu -0.3859212 0.1047438 0.1384994 0.0289123 -0.1246496 0.4205250 0.0010977 0.0240721 1.5039190 32 Cu 0.0310230 -0.7411106 -0.2057369 -0.4756222 1.2561736 -0.0443232 -0.1910915 -0.1276076 -0.0278605 33 O -0.9086628 0.4101641 0.0266518 0.3737175 -1.7834349 0.2677559 -0.0608479 0.3316123 -1.8317253 34 O -1.1784517 0.1144032 0.0583003 -0.0855184 -1.3013208 -0.0697077 0.1843228 -0.2506544 -1.4121129 35 O -0.9086628 -0.4101641 0.0266518 -0.3737175 -1.7834349 -0.2677559 -0.0608479 -0.3316123 -1.8317253 36 O -1.1784517 -0.1144032 0.0583003 0.0855184 -1.3013208 0.0697077 0.1843228 0.2506544 -1.4121129 37 O -1.1431734 0.0639427 -0.0007962 -0.0344319 -1.2580105 0.0698856 0.0277724 0.1580146 -1.9058021 38 O -0.8324501 -0.2926324 0.0431701 -0.2228158 -1.8034047 0.1216332 -0.0107810 0.2054056 -1.8600789 39 O -0.8324501 0.2926324 0.0431701 0.2228158 -1.8034047 -0.1216332 -0.0107810 -0.2054056 -1.8600789 40 O -1.1431734 -0.0639427 -0.0007962 0.0344319 -1.2580105 -0.0698856 0.0277724 -0.1580146 -1.9058021 41 O -1.1431734 -0.0639427 -0.0007962 0.0344319 -1.2580105 -0.0698856 0.0277724 -0.1580146 -1.9058021 42 O -0.8324501 0.2926324 0.0431701 0.2228158 -1.8034047 -0.1216332 -0.0107810 -0.2054056 -1.8600789 43 O -0.8324501 -0.2926324 0.0431701 -0.2228158 -1.8034047 0.1216332 -0.0107810 0.2054056 -1.8600789 44 O -1.1431734 0.0639427 -0.0007962 -0.0344319 -1.2580105 0.0698856 0.0277724 0.1580146 -1.9058021 45 O -1.1784517 -0.1144032 0.0583003 0.0855184 -1.3013208 0.0697077 0.1843228 0.2506544 -1.4121129 46 O -0.9086628 -0.4101641 0.0266518 -0.3737175 -1.7834349 -0.2677559 -0.0608479 -0.3316123 -1.8317253 47 O -1.1784517 0.1144032 0.0583003 -0.0855184 -1.3013208 -0.0697077 0.1843228 -0.2506544 -1.4121129 48 O -0.9086628 0.4101641 0.0266518 0.3737175 -1.7834349 0.2677559 -0.0608479 0.3316123 -1.8317253 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5292 Number of blocks in projector: 5292 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1152 / 1152 (1) 129 eigenvectors found. (1) Complementary block size: 70 (1) Compute compressed projector. (1) Use standard solver. (1) 46 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1152 / 1152 (1) 129 eigenvectors found. (1) Complementary block size: 70 (1) Compute compressed projector. (1) Use standard solver. (1) 46 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5292, 5185), data: False |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 46), data: (1152, 70) @ (70, 46) |-- (152, 129), data: True |-- (500, 477), data: False |-- (500, 18), data: (500, 41) @ (41, 18) |-- (250, 227), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (1152, 1128), data: False |-- (1152, 46), data: (1152, 70) @ (70, 46) |-- (152, 129), data: True |-- (500, 477), data: False |-- (500, 18), data: (500, 41) @ (41, 18) |-- (250, 227), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1440 - Time: 1.143 Solver_block: 200 / 1440 - Time: 0.950 Solver_block: 300 / 1440 - Time: 0.955 Solver_block: 400 / 1440 - Time: 0.952 Solver_block: 500 / 1440 - Time: 0.952 Solver_block: 600 / 1440 - Time: 0.956 Solver_block: 700 / 1440 - Time: 0.958 Solver_block: 800 / 1440 - Time: 0.956 Solver_block: 900 / 1440 - Time: 0.955 Solver_block: 1000 / 1440 - Time: 0.954 Solver_block: 1100 / 1440 - Time: 0.956 Solver_block: 1200 / 1440 - Time: 0.956 Solver_block: 1300 / 1440 - Time: 0.956 Solver_block: 1400 / 1440 - Time: 0.955 Solver_block: 1440 / 1440 - Time: 0.510 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.523 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5292 Number of blocks in projector: 5292 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1152 / 1152 (1) 129 eigenvectors found. (1) Complementary block size: 70 (1) Compute compressed projector. (1) Use standard solver. (1) 46 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1152 / 1152 (1) 129 eigenvectors found. (1) Complementary block size: 70 (1) Compute compressed projector. (1) Use standard solver. (1) 46 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5292, 5185), data: False |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 46), data: (1152, 70) @ (70, 46) |-- (152, 129), data: True |-- (500, 477), data: False |-- (500, 18), data: (500, 41) @ (41, 18) |-- (250, 227), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (1152, 1128), data: False |-- (1152, 46), data: (1152, 70) @ (70, 46) |-- (152, 129), data: True |-- (500, 477), data: False |-- (500, 18), data: (500, 41) @ (41, 18) |-- (250, 227), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 00:12:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:12:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.564626570273772 0.000000000000000 0.000000000000000 b 0.000000000000000 6.710170690000000 0.000000000000000 c -3.879131724216666 0.000000000000000 12.269639584102316 Atomic positions (fractional): 1 Na 0.90701412022290 0.35176841077243 0.41267061970655 22.990 2 Na 0.65622839543956 0.07272779070178 0.09999114739398 22.990 3 Na 0.73784685123136 0.73408331547160 0.42326667038069 22.990 4 Na 0.90701412022290 0.14823158922757 0.91267061970654 22.990 5 Na 0.65622839543956 0.42727220929822 0.59999114739398 22.990 6 Na 0.73784685123136 0.76591668452840 0.92326667038069 22.990 7 Na 0.26215314876864 0.23408331547160 0.07673332961930 22.990 8 Na 0.34377160456044 0.57272779070178 0.40000885260602 22.990 9 Na 0.09298587977710 0.85176841077243 0.08732938029345 22.990 10 Na 0.26215314876864 0.26591668452840 0.57673332961931 22.990 11 Na 0.34377160456044 0.92727220929822 0.90000885260602 22.990 12 Na 0.09298587977710 0.64823158922757 0.58732938029346 22.990 13 Cu 0.94882048207764 0.43071406015915 0.09522483768629 63.546 14 Cu 0.93154182313907 0.67784435518593 0.25380231303785 63.546 15 Cu 0.94882048207764 0.06928593984085 0.59522483768629 63.546 16 Cu 0.68580565736111 0.53098784466945 0.11128204355945 63.546 17 Cu 0.93154182313907 0.82215564481407 0.75380231303785 63.546 18 Cu 0.56198317543664 0.41449469828971 0.26484947219455 63.546 19 Cu 0.68580565736111 0.96901215533055 0.61128204355945 63.546 20 Cu 0.41273145051306 0.65200505179319 0.09438932334071 63.546 21 Cu 0.58726854948694 0.15200505179319 0.40561067665929 63.546 22 Cu 0.43801682456336 0.91449469828971 0.23515052780545 63.546 23 Cu 0.56198317543664 0.08550530171029 0.76484947219455 63.546 24 Cu 0.41273145051306 0.84799494820681 0.59438932334071 63.546 25 Cu 0.58726854948694 0.34799494820681 0.90561067665929 63.546 26 Cu 0.31419434263889 0.03098784466944 0.38871795644055 63.546 27 Cu 0.43801682456336 0.58550530171029 0.73515052780545 63.546 28 Cu 0.06845817686093 0.17784435518593 0.24619768696215 63.546 29 Cu 0.31419434263889 0.46901215533056 0.88871795644055 63.546 30 Cu 0.05117951792236 0.93071406015915 0.40477516231371 63.546 31 Cu 0.06845817686093 0.32215564481407 0.74619768696215 63.546 32 Cu 0.05117951792236 0.56928593984085 0.90477516231371 63.546 33 O 0.01114123283932 0.17259338717445 0.09921104535686 15.999 34 O 0.86471817590524 0.68324320962085 0.10396933663581 15.999 35 O 0.01114123283932 0.32740661282555 0.59921104535686 15.999 36 O 0.86471817590524 0.81675679037915 0.60396933663581 15.999 37 O 0.50036905952287 0.39460469335754 0.11627104588782 15.999 38 O 0.62798434823865 0.42003950155926 0.41341601973165 15.999 39 O 0.37201565176135 0.92003950155926 0.08658398026835 15.999 40 O 0.49963094047713 0.89460469335754 0.38372895411218 15.999 41 O 0.50036905952287 0.10539530664247 0.61627104588782 15.999 42 O 0.62798434823865 0.07996049844074 0.91341601973165 15.999 43 O 0.37201565176135 0.57996049844074 0.58658398026835 15.999 44 O 0.49963094047713 0.60539530664246 0.88372895411218 15.999 45 O 0.13528182409476 0.18324320962085 0.39603066336419 15.999 46 O 0.98885876716068 0.67259338717445 0.40078895464314 15.999 47 O 0.13528182409476 0.31675679037915 0.89603066336419 15.999 48 O 0.98885876716068 0.82740661282555 0.90078895464314 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.564626570273772 0.000000000000000 0.000000000000000 b 0.000000000000000 13.420341380000000 0.000000000000000 c -3.879131724216666 0.000000000000000 12.269639584102316 Atomic positions (fractional): 1 Na 0.90701412022290 0.17588420538622 0.41267061970655 22.990 > 1 2 Na 0.90701412022290 0.67588420538622 0.41267061970655 22.990 > 1 3 Na 0.65622839543956 0.03636389535089 0.09999114739398 22.990 > 3 4 Na 0.65622839543956 0.53636389535089 0.09999114739398 22.990 > 3 5 Na 0.73784685123136 0.36704165773580 0.42326667038069 22.990 > 5 6 Na 0.73784685123136 0.86704165773580 0.42326667038069 22.990 > 5 7 Na 0.90701412022290 0.07411579461378 0.91267061970654 22.990 > 7 8 Na 0.90701412022290 0.57411579461378 0.91267061970654 22.990 > 7 9 Na 0.65622839543956 0.21363610464911 0.59999114739398 22.990 > 9 10 Na 0.65622839543956 0.71363610464911 0.59999114739398 22.990 > 9 11 Na 0.73784685123136 0.38295834226420 0.92326667038069 22.990 > 11 12 Na 0.73784685123136 0.88295834226420 0.92326667038069 22.990 > 11 13 Na 0.26215314876864 0.11704165773580 0.07673332961930 22.990 > 13 14 Na 0.26215314876864 0.61704165773580 0.07673332961930 22.990 > 13 15 Na 0.34377160456044 0.28636389535089 0.40000885260602 22.990 > 15 16 Na 0.34377160456044 0.78636389535089 0.40000885260602 22.990 > 15 17 Na 0.09298587977710 0.42588420538622 0.08732938029345 22.990 > 17 18 Na 0.09298587977710 0.92588420538622 0.08732938029345 22.990 > 17 19 Na 0.26215314876864 0.13295834226420 0.57673332961931 22.990 > 19 20 Na 0.26215314876864 0.63295834226420 0.57673332961931 22.990 > 19 21 Na 0.34377160456044 0.46363610464911 0.90000885260602 22.990 > 21 22 Na 0.34377160456044 0.96363610464911 0.90000885260602 22.990 > 21 23 Na 0.09298587977710 0.32411579461378 0.58732938029346 22.990 > 23 24 Na 0.09298587977710 0.82411579461378 0.58732938029346 22.990 > 23 25 Cu 0.94882048207764 0.21535703007958 0.09522483768629 63.546 > 25 26 Cu 0.94882048207764 0.71535703007958 0.09522483768629 63.546 > 25 27 Cu 0.93154182313907 0.33892217759297 0.25380231303785 63.546 > 27 28 Cu 0.93154182313907 0.83892217759297 0.25380231303785 63.546 > 27 29 Cu 0.94882048207764 0.03464296992042 0.59522483768629 63.546 > 29 30 Cu 0.94882048207764 0.53464296992042 0.59522483768629 63.546 > 29 31 Cu 0.68580565736111 0.26549392233472 0.11128204355945 63.546 > 31 32 Cu 0.68580565736111 0.76549392233472 0.11128204355945 63.546 > 31 33 Cu 0.93154182313907 0.41107782240703 0.75380231303785 63.546 > 33 34 Cu 0.93154182313907 0.91107782240703 0.75380231303785 63.546 > 33 35 Cu 0.56198317543664 0.20724734914486 0.26484947219455 63.546 > 35 36 Cu 0.56198317543664 0.70724734914486 0.26484947219455 63.546 > 35 37 Cu 0.68580565736111 0.48450607766528 0.61128204355945 63.546 > 37 38 Cu 0.68580565736111 0.98450607766528 0.61128204355945 63.546 > 37 39 Cu 0.41273145051306 0.32600252589660 0.09438932334071 63.546 > 39 40 Cu 0.41273145051306 0.82600252589660 0.09438932334071 63.546 > 39 41 Cu 0.58726854948694 0.07600252589660 0.40561067665929 63.546 > 41 42 Cu 0.58726854948694 0.57600252589660 0.40561067665929 63.546 > 41 43 Cu 0.43801682456336 0.45724734914486 0.23515052780545 63.546 > 43 44 Cu 0.43801682456336 0.95724734914486 0.23515052780545 63.546 > 43 45 Cu 0.56198317543664 0.04275265085514 0.76484947219455 63.546 > 45 46 Cu 0.56198317543664 0.54275265085514 0.76484947219455 63.546 > 45 47 Cu 0.41273145051306 0.42399747410340 0.59438932334071 63.546 > 47 48 Cu 0.41273145051306 0.92399747410340 0.59438932334071 63.546 > 47 49 Cu 0.58726854948694 0.17399747410340 0.90561067665929 63.546 > 49 50 Cu 0.58726854948694 0.67399747410340 0.90561067665929 63.546 > 49 51 Cu 0.31419434263889 0.01549392233472 0.38871795644055 63.546 > 51 52 Cu 0.31419434263889 0.51549392233472 0.38871795644055 63.546 > 51 53 Cu 0.43801682456336 0.29275265085514 0.73515052780545 63.546 > 53 54 Cu 0.43801682456336 0.79275265085514 0.73515052780545 63.546 > 53 55 Cu 0.06845817686093 0.08892217759297 0.24619768696215 63.546 > 55 56 Cu 0.06845817686093 0.58892217759297 0.24619768696215 63.546 > 55 57 Cu 0.31419434263889 0.23450607766528 0.88871795644055 63.546 > 57 58 Cu 0.31419434263889 0.73450607766528 0.88871795644055 63.546 > 57 59 Cu 0.05117951792236 0.46535703007958 0.40477516231371 63.546 > 59 60 Cu 0.05117951792236 0.96535703007958 0.40477516231371 63.546 > 59 61 Cu 0.06845817686093 0.16107782240703 0.74619768696215 63.546 > 61 62 Cu 0.06845817686093 0.66107782240703 0.74619768696215 63.546 > 61 63 Cu 0.05117951792236 0.28464296992042 0.90477516231371 63.546 > 63 64 Cu 0.05117951792236 0.78464296992042 0.90477516231371 63.546 > 63 65 O 0.01114123283932 0.08629669358723 0.09921104535686 15.999 > 65 66 O 0.01114123283932 0.58629669358723 0.09921104535686 15.999 > 65 67 O 0.86471817590524 0.34162160481042 0.10396933663581 15.999 > 67 68 O 0.86471817590524 0.84162160481042 0.10396933663581 15.999 > 67 69 O 0.01114123283932 0.16370330641277 0.59921104535686 15.999 > 69 70 O 0.01114123283932 0.66370330641277 0.59921104535686 15.999 > 69 71 O 0.86471817590524 0.40837839518958 0.60396933663581 15.999 > 71 72 O 0.86471817590524 0.90837839518958 0.60396933663581 15.999 > 71 73 O 0.50036905952287 0.19730234667877 0.11627104588782 15.999 > 73 74 O 0.50036905952287 0.69730234667877 0.11627104588782 15.999 > 73 75 O 0.62798434823865 0.21001975077963 0.41341601973165 15.999 > 75 76 O 0.62798434823865 0.71001975077963 0.41341601973165 15.999 > 75 77 O 0.37201565176135 0.46001975077963 0.08658398026835 15.999 > 77 78 O 0.37201565176135 0.96001975077963 0.08658398026835 15.999 > 77 79 O 0.49963094047713 0.44730234667877 0.38372895411218 15.999 > 79 80 O 0.49963094047713 0.94730234667877 0.38372895411218 15.999 > 79 81 O 0.50036905952287 0.05269765332123 0.61627104588782 15.999 > 81 82 O 0.50036905952287 0.55269765332123 0.61627104588782 15.999 > 81 83 O 0.62798434823865 0.03998024922037 0.91341601973165 15.999 > 83 84 O 0.62798434823865 0.53998024922037 0.91341601973165 15.999 > 83 85 O 0.37201565176135 0.28998024922037 0.58658398026835 15.999 > 85 86 O 0.37201565176135 0.78998024922037 0.58658398026835 15.999 > 85 87 O 0.49963094047713 0.30269765332123 0.88372895411218 15.999 > 87 88 O 0.49963094047713 0.80269765332123 0.88372895411218 15.999 > 87 89 O 0.13528182409476 0.09162160481042 0.39603066336419 15.999 > 89 90 O 0.13528182409476 0.59162160481042 0.39603066336419 15.999 > 89 91 O 0.98885876716068 0.33629669358723 0.40078895464314 15.999 > 91 92 O 0.98885876716068 0.83629669358723 0.40078895464314 15.999 > 91 93 O 0.13528182409476 0.15837839518958 0.89603066336419 15.999 > 93 94 O 0.13528182409476 0.65837839518958 0.89603066336419 15.999 > 93 95 O 0.98885876716068 0.41370330641277 0.90078895464314 15.999 > 95 96 O 0.98885876716068 0.91370330641277 0.90078895464314 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7150685 0.0000000 0.0078242 0.0000000 5.0624138 0.0000000 0.0078240 0.0000000 6.0529899 -------------------------- Born effective charges -------------------------- 1 Na 1.1976752 -0.0109603 -0.0683023 0.0028932 1.1269836 -0.1444243 0.0269795 -0.1791516 1.0972824 2 Na 1.1903310 -0.0032699 -0.0395361 0.0793309 1.3727202 -0.1250569 -0.0815532 -0.0818569 1.1277591 3 Na 1.1602189 -0.0457892 0.0340573 0.0139574 1.1344979 0.2230790 -0.0033646 0.2060675 1.0540964 4 Na 1.1976752 0.0109603 -0.0683023 -0.0028932 1.1269836 0.1444243 0.0269795 0.1791516 1.0972824 5 Na 1.1903310 0.0032699 -0.0395361 -0.0793309 1.3727202 0.1250569 -0.0815532 0.0818569 1.1277591 6 Na 1.1602189 0.0457892 0.0340573 -0.0139574 1.1344979 -0.2230790 -0.0033646 -0.2060675 1.0540964 7 Na 1.1602189 0.0457892 0.0340573 -0.0139574 1.1344979 -0.2230790 -0.0033646 -0.2060675 1.0540964 8 Na 1.1903310 0.0032699 -0.0395361 -0.0793309 1.3727202 0.1250569 -0.0815532 0.0818569 1.1277591 9 Na 1.1976752 0.0109603 -0.0683023 -0.0028932 1.1269836 0.1444243 0.0269795 0.1791516 1.0972824 10 Na 1.1602189 -0.0457892 0.0340573 0.0139574 1.1344979 0.2230790 -0.0033646 0.2060675 1.0540964 11 Na 1.1903310 -0.0032699 -0.0395361 0.0793309 1.3727202 -0.1250569 -0.0815532 -0.0818569 1.1277591 12 Na 1.1976752 -0.0109603 -0.0683023 0.0028932 1.1269836 -0.1444243 0.0269795 -0.1791516 1.0972824 13 Cu 0.0310230 -0.7411106 -0.2057369 -0.4756222 1.2561736 -0.0443232 -0.1910915 -0.1276076 -0.0278605 14 Cu -0.3859212 0.1047438 0.1384994 0.0289123 -0.1246496 0.4205250 0.0010977 0.0240721 1.5039190 15 Cu 0.0310230 0.7411106 -0.2057369 0.4756222 1.2561736 0.0443232 -0.1910915 0.1276076 -0.0278605 16 Cu 1.2764454 0.4308498 0.0603219 0.3316151 0.2254254 0.0658161 0.0316540 0.0513018 0.3896222 17 Cu -0.3859212 -0.1047438 0.1384994 -0.0289123 -0.1246496 -0.4205250 0.0010977 -0.0240721 1.5039190 18 Cu -0.3972439 0.1012821 -0.2030904 0.0843110 -0.0661604 -0.3614320 -0.0192675 0.0093826 1.5912014 19 Cu 1.2764454 -0.4308498 0.0603219 -0.3316151 0.2254254 -0.0658161 0.0316540 -0.0513018 0.3896222 20 Cu -0.0097905 -0.6217980 0.1564612 -0.3839999 1.2211802 0.0274792 0.0950792 0.1682641 0.2736992 21 Cu -0.0097905 0.6217980 0.1564612 0.3839999 1.2211802 -0.0274792 0.0950792 -0.1682641 0.2736992 22 Cu -0.3972439 -0.1012821 -0.2030904 -0.0843110 -0.0661604 0.3614320 -0.0192675 -0.0093826 1.5912014 23 Cu -0.3972439 -0.1012821 -0.2030904 -0.0843110 -0.0661604 0.3614320 -0.0192675 -0.0093826 1.5912014 24 Cu -0.0097905 0.6217980 0.1564612 0.3839999 1.2211802 -0.0274792 0.0950792 -0.1682641 0.2736992 25 Cu -0.0097905 -0.6217980 0.1564612 -0.3839999 1.2211802 0.0274792 0.0950792 0.1682641 0.2736992 26 Cu 1.2764454 -0.4308498 0.0603219 -0.3316151 0.2254254 -0.0658161 0.0316540 -0.0513018 0.3896222 27 Cu -0.3972439 0.1012821 -0.2030904 0.0843110 -0.0661604 -0.3614320 -0.0192675 0.0093826 1.5912014 28 Cu -0.3859212 -0.1047438 0.1384994 -0.0289123 -0.1246496 -0.4205250 0.0010977 -0.0240721 1.5039190 29 Cu 1.2764454 0.4308498 0.0603219 0.3316151 0.2254254 0.0658161 0.0316540 0.0513018 0.3896222 30 Cu 0.0310230 0.7411106 -0.2057369 0.4756222 1.2561736 0.0443232 -0.1910915 0.1276076 -0.0278605 31 Cu -0.3859212 0.1047438 0.1384994 0.0289123 -0.1246496 0.4205250 0.0010977 0.0240721 1.5039190 32 Cu 0.0310230 -0.7411106 -0.2057369 -0.4756222 1.2561736 -0.0443232 -0.1910915 -0.1276076 -0.0278605 33 O -0.9086628 0.4101641 0.0266518 0.3737175 -1.7834349 0.2677559 -0.0608479 0.3316123 -1.8317253 34 O -1.1784517 0.1144032 0.0583003 -0.0855184 -1.3013208 -0.0697077 0.1843228 -0.2506544 -1.4121129 35 O -0.9086628 -0.4101641 0.0266518 -0.3737175 -1.7834349 -0.2677559 -0.0608479 -0.3316123 -1.8317253 36 O -1.1784517 -0.1144032 0.0583003 0.0855184 -1.3013208 0.0697077 0.1843228 0.2506544 -1.4121129 37 O -1.1431734 0.0639427 -0.0007962 -0.0344319 -1.2580105 0.0698856 0.0277724 0.1580146 -1.9058021 38 O -0.8324501 -0.2926324 0.0431701 -0.2228158 -1.8034047 0.1216332 -0.0107810 0.2054056 -1.8600789 39 O -0.8324501 0.2926324 0.0431701 0.2228158 -1.8034047 -0.1216332 -0.0107810 -0.2054056 -1.8600789 40 O -1.1431734 -0.0639427 -0.0007962 0.0344319 -1.2580105 -0.0698856 0.0277724 -0.1580146 -1.9058021 41 O -1.1431734 -0.0639427 -0.0007962 0.0344319 -1.2580105 -0.0698856 0.0277724 -0.1580146 -1.9058021 42 O -0.8324501 0.2926324 0.0431701 0.2228158 -1.8034047 -0.1216332 -0.0107810 -0.2054056 -1.8600789 43 O -0.8324501 -0.2926324 0.0431701 -0.2228158 -1.8034047 0.1216332 -0.0107810 0.2054056 -1.8600789 44 O -1.1431734 0.0639427 -0.0007962 -0.0344319 -1.2580105 0.0698856 0.0277724 0.1580146 -1.9058021 45 O -1.1784517 -0.1144032 0.0583003 0.0855184 -1.3013208 0.0697077 0.1843228 0.2506544 -1.4121129 46 O -0.9086628 -0.4101641 0.0266518 -0.3737175 -1.7834349 -0.2677559 -0.0608479 -0.3316123 -1.8317253 47 O -1.1784517 0.1144032 0.0583003 -0.0855184 -1.3013208 -0.0697077 0.1843228 -0.2506544 -1.4121129 48 O -0.9086628 0.4101641 0.0266518 0.3737175 -1.7834349 0.2677559 -0.0608479 0.3316123 -1.8317253 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 27, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 31, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 39, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 75, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:13:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:13:40]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.564626570273772 0.000000000000000 0.000000000000000 b 0.000000000000000 6.710170690000000 0.000000000000000 c -3.879131724216666 0.000000000000000 12.269639584102316 Atomic positions (fractional): 1 Na 0.90701412022290 0.35176841077243 0.41267061970655 22.990 2 Na 0.65622839543956 0.07272779070178 0.09999114739398 22.990 3 Na 0.73784685123136 0.73408331547160 0.42326667038069 22.990 4 Na 0.90701412022290 0.14823158922757 0.91267061970654 22.990 5 Na 0.65622839543956 0.42727220929822 0.59999114739398 22.990 6 Na 0.73784685123136 0.76591668452840 0.92326667038069 22.990 7 Na 0.26215314876864 0.23408331547160 0.07673332961930 22.990 8 Na 0.34377160456044 0.57272779070178 0.40000885260602 22.990 9 Na 0.09298587977710 0.85176841077243 0.08732938029345 22.990 10 Na 0.26215314876864 0.26591668452840 0.57673332961931 22.990 11 Na 0.34377160456044 0.92727220929822 0.90000885260602 22.990 12 Na 0.09298587977710 0.64823158922757 0.58732938029346 22.990 13 Cu 0.94882048207764 0.43071406015915 0.09522483768629 63.546 14 Cu 0.93154182313907 0.67784435518593 0.25380231303785 63.546 15 Cu 0.94882048207764 0.06928593984085 0.59522483768629 63.546 16 Cu 0.68580565736111 0.53098784466945 0.11128204355945 63.546 17 Cu 0.93154182313907 0.82215564481407 0.75380231303785 63.546 18 Cu 0.56198317543664 0.41449469828971 0.26484947219455 63.546 19 Cu 0.68580565736111 0.96901215533055 0.61128204355945 63.546 20 Cu 0.41273145051306 0.65200505179319 0.09438932334071 63.546 21 Cu 0.58726854948694 0.15200505179319 0.40561067665929 63.546 22 Cu 0.43801682456336 0.91449469828971 0.23515052780545 63.546 23 Cu 0.56198317543664 0.08550530171029 0.76484947219455 63.546 24 Cu 0.41273145051306 0.84799494820681 0.59438932334071 63.546 25 Cu 0.58726854948694 0.34799494820681 0.90561067665929 63.546 26 Cu 0.31419434263889 0.03098784466944 0.38871795644055 63.546 27 Cu 0.43801682456336 0.58550530171029 0.73515052780545 63.546 28 Cu 0.06845817686093 0.17784435518593 0.24619768696215 63.546 29 Cu 0.31419434263889 0.46901215533056 0.88871795644055 63.546 30 Cu 0.05117951792236 0.93071406015915 0.40477516231371 63.546 31 Cu 0.06845817686093 0.32215564481407 0.74619768696215 63.546 32 Cu 0.05117951792236 0.56928593984085 0.90477516231371 63.546 33 O 0.01114123283932 0.17259338717445 0.09921104535686 15.999 34 O 0.86471817590524 0.68324320962085 0.10396933663581 15.999 35 O 0.01114123283932 0.32740661282555 0.59921104535686 15.999 36 O 0.86471817590524 0.81675679037915 0.60396933663581 15.999 37 O 0.50036905952287 0.39460469335754 0.11627104588782 15.999 38 O 0.62798434823865 0.42003950155926 0.41341601973165 15.999 39 O 0.37201565176135 0.92003950155926 0.08658398026835 15.999 40 O 0.49963094047713 0.89460469335754 0.38372895411218 15.999 41 O 0.50036905952287 0.10539530664247 0.61627104588782 15.999 42 O 0.62798434823865 0.07996049844074 0.91341601973165 15.999 43 O 0.37201565176135 0.57996049844074 0.58658398026835 15.999 44 O 0.49963094047713 0.60539530664246 0.88372895411218 15.999 45 O 0.13528182409476 0.18324320962085 0.39603066336419 15.999 46 O 0.98885876716068 0.67259338717445 0.40078895464314 15.999 47 O 0.13528182409476 0.31675679037915 0.89603066336419 15.999 48 O 0.98885876716068 0.82740661282555 0.90078895464314 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.564626570273772 0.000000000000000 0.000000000000000 b 0.000000000000000 13.420341380000000 0.000000000000000 c -3.879131724216666 0.000000000000000 12.269639584102316 Atomic positions (fractional): 1 Na 0.90701412022290 0.17588420538622 0.41267061970655 22.990 > 1 2 Na 0.90701412022290 0.67588420538622 0.41267061970655 22.990 > 1 3 Na 0.65622839543956 0.03636389535089 0.09999114739398 22.990 > 3 4 Na 0.65622839543956 0.53636389535089 0.09999114739398 22.990 > 3 5 Na 0.73784685123136 0.36704165773580 0.42326667038069 22.990 > 5 6 Na 0.73784685123136 0.86704165773580 0.42326667038069 22.990 > 5 7 Na 0.90701412022290 0.07411579461378 0.91267061970654 22.990 > 7 8 Na 0.90701412022290 0.57411579461378 0.91267061970654 22.990 > 7 9 Na 0.65622839543956 0.21363610464911 0.59999114739398 22.990 > 9 10 Na 0.65622839543956 0.71363610464911 0.59999114739398 22.990 > 9 11 Na 0.73784685123136 0.38295834226420 0.92326667038069 22.990 > 11 12 Na 0.73784685123136 0.88295834226420 0.92326667038069 22.990 > 11 13 Na 0.26215314876864 0.11704165773580 0.07673332961930 22.990 > 13 14 Na 0.26215314876864 0.61704165773580 0.07673332961930 22.990 > 13 15 Na 0.34377160456044 0.28636389535089 0.40000885260602 22.990 > 15 16 Na 0.34377160456044 0.78636389535089 0.40000885260602 22.990 > 15 17 Na 0.09298587977710 0.42588420538622 0.08732938029345 22.990 > 17 18 Na 0.09298587977710 0.92588420538622 0.08732938029345 22.990 > 17 19 Na 0.26215314876864 0.13295834226420 0.57673332961931 22.990 > 19 20 Na 0.26215314876864 0.63295834226420 0.57673332961931 22.990 > 19 21 Na 0.34377160456044 0.46363610464911 0.90000885260602 22.990 > 21 22 Na 0.34377160456044 0.96363610464911 0.90000885260602 22.990 > 21 23 Na 0.09298587977710 0.32411579461378 0.58732938029346 22.990 > 23 24 Na 0.09298587977710 0.82411579461378 0.58732938029346 22.990 > 23 25 Cu 0.94882048207764 0.21535703007958 0.09522483768629 63.546 > 25 26 Cu 0.94882048207764 0.71535703007958 0.09522483768629 63.546 > 25 27 Cu 0.93154182313907 0.33892217759297 0.25380231303785 63.546 > 27 28 Cu 0.93154182313907 0.83892217759297 0.25380231303785 63.546 > 27 29 Cu 0.94882048207764 0.03464296992042 0.59522483768629 63.546 > 29 30 Cu 0.94882048207764 0.53464296992042 0.59522483768629 63.546 > 29 31 Cu 0.68580565736111 0.26549392233472 0.11128204355945 63.546 > 31 32 Cu 0.68580565736111 0.76549392233472 0.11128204355945 63.546 > 31 33 Cu 0.93154182313907 0.41107782240703 0.75380231303785 63.546 > 33 34 Cu 0.93154182313907 0.91107782240703 0.75380231303785 63.546 > 33 35 Cu 0.56198317543664 0.20724734914486 0.26484947219455 63.546 > 35 36 Cu 0.56198317543664 0.70724734914486 0.26484947219455 63.546 > 35 37 Cu 0.68580565736111 0.48450607766528 0.61128204355945 63.546 > 37 38 Cu 0.68580565736111 0.98450607766528 0.61128204355945 63.546 > 37 39 Cu 0.41273145051306 0.32600252589660 0.09438932334071 63.546 > 39 40 Cu 0.41273145051306 0.82600252589660 0.09438932334071 63.546 > 39 41 Cu 0.58726854948694 0.07600252589660 0.40561067665929 63.546 > 41 42 Cu 0.58726854948694 0.57600252589660 0.40561067665929 63.546 > 41 43 Cu 0.43801682456336 0.45724734914486 0.23515052780545 63.546 > 43 44 Cu 0.43801682456336 0.95724734914486 0.23515052780545 63.546 > 43 45 Cu 0.56198317543664 0.04275265085514 0.76484947219455 63.546 > 45 46 Cu 0.56198317543664 0.54275265085514 0.76484947219455 63.546 > 45 47 Cu 0.41273145051306 0.42399747410340 0.59438932334071 63.546 > 47 48 Cu 0.41273145051306 0.92399747410340 0.59438932334071 63.546 > 47 49 Cu 0.58726854948694 0.17399747410340 0.90561067665929 63.546 > 49 50 Cu 0.58726854948694 0.67399747410340 0.90561067665929 63.546 > 49 51 Cu 0.31419434263889 0.01549392233472 0.38871795644055 63.546 > 51 52 Cu 0.31419434263889 0.51549392233472 0.38871795644055 63.546 > 51 53 Cu 0.43801682456336 0.29275265085514 0.73515052780545 63.546 > 53 54 Cu 0.43801682456336 0.79275265085514 0.73515052780545 63.546 > 53 55 Cu 0.06845817686093 0.08892217759297 0.24619768696215 63.546 > 55 56 Cu 0.06845817686093 0.58892217759297 0.24619768696215 63.546 > 55 57 Cu 0.31419434263889 0.23450607766528 0.88871795644055 63.546 > 57 58 Cu 0.31419434263889 0.73450607766528 0.88871795644055 63.546 > 57 59 Cu 0.05117951792236 0.46535703007958 0.40477516231371 63.546 > 59 60 Cu 0.05117951792236 0.96535703007958 0.40477516231371 63.546 > 59 61 Cu 0.06845817686093 0.16107782240703 0.74619768696215 63.546 > 61 62 Cu 0.06845817686093 0.66107782240703 0.74619768696215 63.546 > 61 63 Cu 0.05117951792236 0.28464296992042 0.90477516231371 63.546 > 63 64 Cu 0.05117951792236 0.78464296992042 0.90477516231371 63.546 > 63 65 O 0.01114123283932 0.08629669358723 0.09921104535686 15.999 > 65 66 O 0.01114123283932 0.58629669358723 0.09921104535686 15.999 > 65 67 O 0.86471817590524 0.34162160481042 0.10396933663581 15.999 > 67 68 O 0.86471817590524 0.84162160481042 0.10396933663581 15.999 > 67 69 O 0.01114123283932 0.16370330641277 0.59921104535686 15.999 > 69 70 O 0.01114123283932 0.66370330641277 0.59921104535686 15.999 > 69 71 O 0.86471817590524 0.40837839518958 0.60396933663581 15.999 > 71 72 O 0.86471817590524 0.90837839518958 0.60396933663581 15.999 > 71 73 O 0.50036905952287 0.19730234667877 0.11627104588782 15.999 > 73 74 O 0.50036905952287 0.69730234667877 0.11627104588782 15.999 > 73 75 O 0.62798434823865 0.21001975077963 0.41341601973165 15.999 > 75 76 O 0.62798434823865 0.71001975077963 0.41341601973165 15.999 > 75 77 O 0.37201565176135 0.46001975077963 0.08658398026835 15.999 > 77 78 O 0.37201565176135 0.96001975077963 0.08658398026835 15.999 > 77 79 O 0.49963094047713 0.44730234667877 0.38372895411218 15.999 > 79 80 O 0.49963094047713 0.94730234667877 0.38372895411218 15.999 > 79 81 O 0.50036905952287 0.05269765332123 0.61627104588782 15.999 > 81 82 O 0.50036905952287 0.55269765332123 0.61627104588782 15.999 > 81 83 O 0.62798434823865 0.03998024922037 0.91341601973165 15.999 > 83 84 O 0.62798434823865 0.53998024922037 0.91341601973165 15.999 > 83 85 O 0.37201565176135 0.28998024922037 0.58658398026835 15.999 > 85 86 O 0.37201565176135 0.78998024922037 0.58658398026835 15.999 > 85 87 O 0.49963094047713 0.30269765332123 0.88372895411218 15.999 > 87 88 O 0.49963094047713 0.80269765332123 0.88372895411218 15.999 > 87 89 O 0.13528182409476 0.09162160481042 0.39603066336419 15.999 > 89 90 O 0.13528182409476 0.59162160481042 0.39603066336419 15.999 > 89 91 O 0.98885876716068 0.33629669358723 0.40078895464314 15.999 > 91 92 O 0.98885876716068 0.83629669358723 0.40078895464314 15.999 > 91 93 O 0.13528182409476 0.15837839518958 0.89603066336419 15.999 > 93 94 O 0.13528182409476 0.65837839518958 0.89603066336419 15.999 > 93 95 O 0.98885876716068 0.41370330641277 0.90078895464314 15.999 > 95 96 O 0.98885876716068 0.91370330641277 0.90078895464314 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.7150685 0.0000000 0.0078242 0.0000000 5.0624138 0.0000000 0.0078240 0.0000000 6.0529899 -------------------------- Born effective charges -------------------------- 1 Na 1.1976752 -0.0109603 -0.0683023 0.0028932 1.1269836 -0.1444243 0.0269795 -0.1791516 1.0972824 2 Na 1.1903310 -0.0032699 -0.0395361 0.0793309 1.3727202 -0.1250569 -0.0815532 -0.0818569 1.1277591 3 Na 1.1602189 -0.0457892 0.0340573 0.0139574 1.1344979 0.2230790 -0.0033646 0.2060675 1.0540964 4 Na 1.1976752 0.0109603 -0.0683023 -0.0028932 1.1269836 0.1444243 0.0269795 0.1791516 1.0972824 5 Na 1.1903310 0.0032699 -0.0395361 -0.0793309 1.3727202 0.1250569 -0.0815532 0.0818569 1.1277591 6 Na 1.1602189 0.0457892 0.0340573 -0.0139574 1.1344979 -0.2230790 -0.0033646 -0.2060675 1.0540964 7 Na 1.1602189 0.0457892 0.0340573 -0.0139574 1.1344979 -0.2230790 -0.0033646 -0.2060675 1.0540964 8 Na 1.1903310 0.0032699 -0.0395361 -0.0793309 1.3727202 0.1250569 -0.0815532 0.0818569 1.1277591 9 Na 1.1976752 0.0109603 -0.0683023 -0.0028932 1.1269836 0.1444243 0.0269795 0.1791516 1.0972824 10 Na 1.1602189 -0.0457892 0.0340573 0.0139574 1.1344979 0.2230790 -0.0033646 0.2060675 1.0540964 11 Na 1.1903310 -0.0032699 -0.0395361 0.0793309 1.3727202 -0.1250569 -0.0815532 -0.0818569 1.1277591 12 Na 1.1976752 -0.0109603 -0.0683023 0.0028932 1.1269836 -0.1444243 0.0269795 -0.1791516 1.0972824 13 Cu 0.0310230 -0.7411106 -0.2057369 -0.4756222 1.2561736 -0.0443232 -0.1910915 -0.1276076 -0.0278605 14 Cu -0.3859212 0.1047438 0.1384994 0.0289123 -0.1246496 0.4205250 0.0010977 0.0240721 1.5039190 15 Cu 0.0310230 0.7411106 -0.2057369 0.4756222 1.2561736 0.0443232 -0.1910915 0.1276076 -0.0278605 16 Cu 1.2764454 0.4308498 0.0603219 0.3316151 0.2254254 0.0658161 0.0316540 0.0513018 0.3896222 17 Cu -0.3859212 -0.1047438 0.1384994 -0.0289123 -0.1246496 -0.4205250 0.0010977 -0.0240721 1.5039190 18 Cu -0.3972439 0.1012821 -0.2030904 0.0843110 -0.0661604 -0.3614320 -0.0192675 0.0093826 1.5912014 19 Cu 1.2764454 -0.4308498 0.0603219 -0.3316151 0.2254254 -0.0658161 0.0316540 -0.0513018 0.3896222 20 Cu -0.0097905 -0.6217980 0.1564612 -0.3839999 1.2211802 0.0274792 0.0950792 0.1682641 0.2736992 21 Cu -0.0097905 0.6217980 0.1564612 0.3839999 1.2211802 -0.0274792 0.0950792 -0.1682641 0.2736992 22 Cu -0.3972439 -0.1012821 -0.2030904 -0.0843110 -0.0661604 0.3614320 -0.0192675 -0.0093826 1.5912014 23 Cu -0.3972439 -0.1012821 -0.2030904 -0.0843110 -0.0661604 0.3614320 -0.0192675 -0.0093826 1.5912014 24 Cu -0.0097905 0.6217980 0.1564612 0.3839999 1.2211802 -0.0274792 0.0950792 -0.1682641 0.2736992 25 Cu -0.0097905 -0.6217980 0.1564612 -0.3839999 1.2211802 0.0274792 0.0950792 0.1682641 0.2736992 26 Cu 1.2764454 -0.4308498 0.0603219 -0.3316151 0.2254254 -0.0658161 0.0316540 -0.0513018 0.3896222 27 Cu -0.3972439 0.1012821 -0.2030904 0.0843110 -0.0661604 -0.3614320 -0.0192675 0.0093826 1.5912014 28 Cu -0.3859212 -0.1047438 0.1384994 -0.0289123 -0.1246496 -0.4205250 0.0010977 -0.0240721 1.5039190 29 Cu 1.2764454 0.4308498 0.0603219 0.3316151 0.2254254 0.0658161 0.0316540 0.0513018 0.3896222 30 Cu 0.0310230 0.7411106 -0.2057369 0.4756222 1.2561736 0.0443232 -0.1910915 0.1276076 -0.0278605 31 Cu -0.3859212 0.1047438 0.1384994 0.0289123 -0.1246496 0.4205250 0.0010977 0.0240721 1.5039190 32 Cu 0.0310230 -0.7411106 -0.2057369 -0.4756222 1.2561736 -0.0443232 -0.1910915 -0.1276076 -0.0278605 33 O -0.9086628 0.4101641 0.0266518 0.3737175 -1.7834349 0.2677559 -0.0608479 0.3316123 -1.8317253 34 O -1.1784517 0.1144032 0.0583003 -0.0855184 -1.3013208 -0.0697077 0.1843228 -0.2506544 -1.4121129 35 O -0.9086628 -0.4101641 0.0266518 -0.3737175 -1.7834349 -0.2677559 -0.0608479 -0.3316123 -1.8317253 36 O -1.1784517 -0.1144032 0.0583003 0.0855184 -1.3013208 0.0697077 0.1843228 0.2506544 -1.4121129 37 O -1.1431734 0.0639427 -0.0007962 -0.0344319 -1.2580105 0.0698856 0.0277724 0.1580146 -1.9058021 38 O -0.8324501 -0.2926324 0.0431701 -0.2228158 -1.8034047 0.1216332 -0.0107810 0.2054056 -1.8600789 39 O -0.8324501 0.2926324 0.0431701 0.2228158 -1.8034047 -0.1216332 -0.0107810 -0.2054056 -1.8600789 40 O -1.1431734 -0.0639427 -0.0007962 0.0344319 -1.2580105 -0.0698856 0.0277724 -0.1580146 -1.9058021 41 O -1.1431734 -0.0639427 -0.0007962 0.0344319 -1.2580105 -0.0698856 0.0277724 -0.1580146 -1.9058021 42 O -0.8324501 0.2926324 0.0431701 0.2228158 -1.8034047 -0.1216332 -0.0107810 -0.2054056 -1.8600789 43 O -0.8324501 -0.2926324 0.0431701 -0.2228158 -1.8034047 0.1216332 -0.0107810 0.2054056 -1.8600789 44 O -1.1431734 0.0639427 -0.0007962 -0.0344319 -1.2580105 0.0698856 0.0277724 0.1580146 -1.9058021 45 O -1.1784517 -0.1144032 0.0583003 0.0855184 -1.3013208 0.0697077 0.1843228 0.2506544 -1.4121129 46 O -0.9086628 -0.4101641 0.0266518 -0.3737175 -1.7834349 -0.2677559 -0.0608479 -0.3316123 -1.8317253 47 O -1.1784517 0.1144032 0.0583003 -0.0855184 -1.3013208 -0.0697077 0.1843228 -0.2506544 -1.4121129 48 O -0.9086628 0.4101641 0.0266518 0.3737175 -1.7834349 0.2677559 -0.0608479 0.3316123 -1.8317253 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 7 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.47, Number of G-points: 291, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/56) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.140 ( 0.000 0.000 0.000) 0.000 1.195 ( 0.000 0.000 0.000) 0.000 1.219 ( 0.000 0.000 0.000) 0.000 1.243 ( 0.000 0.000 0.000) 0.000 1.518 ( 0.000 0.000 0.000) 0.000 1.569 ( 0.000 0.000 0.000) 0.000 1.679 ( 0.000 0.000 0.000) 0.000 1.701 ( 0.000 0.000 0.000) 0.000 1.725 ( 0.000 0.000 0.000) 0.000 1.726 ( 0.000 0.000 0.000) 0.000 1.771 ( 0.000 0.000 0.000) 0.000 1.916 ( 0.000 0.000 0.000) 0.000 1.958 ( 0.000 0.000 0.000) 0.000 2.040 ( 0.000 0.000 0.000) 0.000 2.051 ( 0.000 0.000 0.000) 0.000 2.272 ( 0.000 0.000 0.000) 0.000 2.428 ( 0.000 0.000 0.000) 0.000 2.443 ( 0.000 0.000 0.000) 0.000 2.480 ( 0.000 0.000 0.000) 0.000 2.641 ( 0.000 0.000 0.000) 0.000 2.647 ( 0.000 0.000 0.000) 0.000 2.657 ( 0.000 0.000 0.000) 0.000 2.793 ( 0.000 0.000 0.000) 0.000 2.930 ( 0.000 0.000 0.000) 0.000 2.986 ( 0.000 0.000 0.000) 0.000 3.045 ( 0.000 0.000 0.000) 0.000 3.103 ( 0.000 0.000 0.000) 0.000 3.117 ( 0.000 0.000 0.000) 0.000 3.207 ( 0.000 0.000 0.000) 0.000 3.236 ( 0.000 0.000 0.000) 0.000 3.352 ( 0.000 0.000 0.000) 0.000 3.401 ( 0.000 0.000 0.000) 0.000 3.430 ( 0.000 0.000 0.000) 0.000 3.529 ( 0.000 0.000 0.000) 0.000 3.560 ( 0.000 0.000 0.000) 0.000 3.608 ( 0.000 0.000 0.000) 0.000 3.617 ( 0.000 0.000 0.000) 0.000 3.651 ( 0.000 0.000 0.000) 0.000 3.658 ( 0.000 0.000 0.000) 0.000 3.768 ( 0.000 0.000 0.000) 0.000 3.838 ( 0.000 0.000 0.000) 0.000 3.849 ( 0.000 0.000 0.000) 0.000 3.875 ( 0.000 0.000 0.000) 0.000 3.994 ( 0.000 0.000 0.000) 0.000 4.033 ( 0.000 0.000 0.000) 0.000 4.070 ( 0.000 0.000 0.000) 0.000 4.303 ( 0.000 0.000 0.000) 0.000 4.413 ( 0.000 0.000 0.000) 0.000 4.468 ( 0.000 0.000 0.000) 0.000 4.500 ( 0.000 0.000 0.000) 0.000 4.622 ( 0.000 0.000 0.000) 0.000 4.667 ( 0.000 0.000 0.000) 0.000 4.741 ( 0.000 0.000 0.000) 0.000 4.762 ( 0.000 0.000 0.000) 0.000 4.804 ( 0.000 0.000 0.000) 0.000 4.894 ( 0.000 0.000 0.000) 0.000 4.998 ( 0.000 0.000 0.000) 0.000 5.008 ( 0.000 0.000 0.000) 0.000 5.179 ( 0.000 0.000 0.000) 0.000 5.218 ( 0.000 0.000 0.000) 0.000 5.269 ( 0.000 0.000 0.000) 0.000 5.328 ( 0.000 0.000 0.000) 0.000 5.358 ( 0.000 0.000 0.000) 0.000 5.546 ( 0.000 0.000 0.000) 0.000 5.553 ( 0.000 0.000 0.000) 0.000 5.609 ( 0.000 0.000 0.000) 0.000 5.634 ( 0.000 0.000 0.000) 0.000 5.634 ( 0.000 0.000 0.000) 0.000 5.723 ( 0.000 0.000 0.000) 0.000 5.803 ( 0.000 0.000 0.000) 0.000 5.823 ( 0.000 0.000 0.000) 0.000 5.875 ( 0.000 0.000 0.000) 0.000 5.959 ( 0.000 0.000 0.000) 0.000 5.973 ( 0.000 0.000 0.000) 0.000 5.984 ( 0.000 0.000 0.000) 0.000 5.985 ( 0.000 0.000 0.000) 0.000 6.100 ( 0.000 0.000 0.000) 0.000 6.160 ( 0.000 0.000 0.000) 0.000 6.198 ( 0.000 0.000 0.000) 0.000 6.244 ( 0.000 0.000 0.000) 0.000 6.346 ( 0.000 0.000 0.000) 0.000 6.419 ( 0.000 0.000 0.000) 0.000 6.588 ( 0.000 0.000 0.000) 0.000 6.719 ( 0.000 0.000 0.000) 0.000 6.795 ( 0.000 0.000 0.000) 0.000 6.849 ( 0.000 0.000 0.000) 0.000 6.958 ( 0.000 0.000 0.000) 0.000 6.971 ( 0.000 0.000 0.000) 0.000 7.082 ( 0.000 0.000 0.000) 0.000 7.143 ( 0.000 0.000 0.000) 0.000 7.298 ( 0.000 0.000 0.000) 0.000 7.425 ( 0.000 0.000 0.000) 0.000 7.526 ( 0.000 0.000 0.000) 0.000 7.645 ( 0.000 0.000 0.000) 0.000 7.669 ( 0.000 0.000 0.000) 0.000 7.702 ( 0.000 0.000 0.000) 0.000 7.735 ( 0.000 0.000 0.000) 0.000 9.176 ( 0.000 0.000 0.000) 0.000 9.206 ( 0.000 0.000 0.000) 0.000 9.216 ( 0.000 0.000 0.000) 0.000 9.280 ( 0.000 0.000 0.000) 0.000 13.039 ( 0.000 0.000 0.000) 0.000 13.076 ( 0.000 0.000 0.000) 0.000 13.206 ( 0.000 0.000 0.000) 0.000 13.255 ( 0.000 0.000 0.000) 0.000 14.068 ( 0.000 0.000 0.000) 0.000 14.100 ( 0.000 0.000 0.000) 0.000 14.138 ( 0.000 0.000 0.000) 0.000 14.165 ( 0.000 0.000 0.000) 0.000 15.298 ( 0.000 0.000 0.000) 0.000 15.324 ( 0.000 0.000 0.000) 0.000 15.426 ( 0.000 0.000 0.000) 0.000 15.436 ( 0.000 0.000 0.000) 0.000 15.511 ( 0.000 0.000 0.000) 0.000 15.666 ( 0.000 0.000 0.000) 0.000 15.716 ( 0.000 0.000 0.000) 0.000 15.723 ( 0.000 0.000 0.000) 0.000 16.253 ( 0.000 0.000 0.000) 0.000 16.415 ( 0.000 0.000 0.000) 0.000 16.753 ( 0.000 0.000 0.000) 0.000 16.888 ( 0.000 0.000 0.000) 0.000 16.973 ( 0.000 0.000 0.000) 0.000 17.087 ( 0.000 0.000 0.000) 0.000 17.091 ( 0.000 0.000 0.000) 0.000 17.126 ( 0.000 0.000 0.000) 0.000 17.665 ( 0.000 0.000 0.000) 0.000 17.703 ( 0.000 0.000 0.000) 0.000 17.737 ( 0.000 0.000 0.000) 0.000 17.738 ( 0.000 0.000 0.000) 0.000 17.875 ( 0.000 0.000 0.000) 0.000 18.004 ( 0.000 0.000 0.000) 0.000 18.161 ( 0.000 0.000 0.000) 0.000 18.338 ( 0.000 0.000 0.000) 0.000 18.456 ( 0.000 0.000 0.000) 0.000 18.647 ( 0.000 0.000 0.000) 0.000 18.649 ( 0.000 0.000 0.000) 0.000 18.785 ( 0.000 0.000 0.000) 0.000 18.873 ( 0.000 0.000 0.000) 0.000 19.110 ( 0.000 0.000 0.000) 0.000 19.266 ( 0.000 0.000 0.000) 0.000 19.765 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/56) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.336 ( 16.301 0.000 4.220) 16.839 0.375 ( 13.662 0.000 16.213) 21.202 0.629 ( 27.132 0.000 7.310) 28.100 1.109 ( 2.738 0.000 -7.298) 7.795 1.194 ( -1.488 0.000 -2.465) 2.879 1.252 ( 1.246 0.000 -7.611) 7.712 1.416 ( 13.966 0.000 4.245) 14.597 1.558 ( 0.888 0.000 -0.143) 0.899 1.593 ( 5.135 0.000 -2.853) 5.874 1.614 ( -1.906 0.000 1.637) 2.512 1.739 ( -2.374 0.000 4.992) 5.528 1.759 ( 3.567 0.000 -0.868) 3.671 1.863 ( 8.026 0.000 -1.298) 8.130 1.912 ( -0.898 0.000 1.376) 1.643 1.997 ( 2.412 0.000 1.877) 3.057 1.998 ( -1.015 0.000 -1.087) 1.487 2.019 ( 0.313 0.000 1.641) 1.671 2.268 ( -0.085 0.000 -0.474) 0.482 2.284 ( 4.194 0.000 -6.584) 7.807 2.359 ( -6.365 0.000 0.703) 6.404 2.432 ( -1.025 0.000 -2.649) 2.840 2.442 ( -0.926 0.000 1.448) 1.719 2.633 ( -0.192 0.000 -0.631) 0.659 2.648 ( 0.862 0.000 -0.356) 0.933 2.719 ( -0.644 0.000 -0.513) 0.823 2.806 ( 1.828 0.000 -2.063) 2.756 2.916 ( -2.012 0.000 1.271) 2.380 2.952 ( -2.016 0.000 -1.243) 2.368 3.032 ( -6.239 0.000 -2.421) 6.692 3.104 ( 1.095 0.000 5.007) 5.126 3.112 ( 0.171 0.000 1.515) 1.525 3.195 ( -2.228 0.000 -1.686) 2.794 3.206 ( -0.882 0.000 1.576) 1.806 3.322 ( -6.415 0.000 1.121) 6.513 3.322 ( -3.374 0.000 -3.190) 4.643 3.443 ( -3.491 0.000 0.683) 3.557 3.458 ( -3.565 0.000 -5.381) 6.455 3.552 ( -1.639 0.000 1.498) 2.221 3.597 ( -0.375 0.000 -2.074) 2.107 3.612 ( -0.792 0.000 1.208) 1.445 3.660 ( 3.952 0.000 -2.993) 4.958 3.709 ( -0.056 0.000 3.732) 3.732 3.809 ( 2.816 0.000 0.410) 2.846 3.811 ( -4.854 0.000 -1.210) 5.002 3.819 ( -1.361 0.000 0.118) 1.366 3.853 ( -0.131 0.000 1.239) 1.246 3.988 ( -0.577 0.000 -0.716) 0.920 4.019 ( -4.290 0.000 -0.295) 4.300 4.044 ( 0.460 0.000 0.845) 0.962 4.288 ( -2.477 0.000 2.095) 3.244 4.372 ( -5.392 0.000 -2.303) 5.863 4.405 ( -1.292 0.000 -2.971) 3.240 4.550 ( 2.053 0.000 -0.631) 2.148 4.584 ( -3.350 0.000 5.686) 6.600 4.698 ( -0.791 0.000 0.433) 0.902 4.731 ( -3.631 0.000 -1.630) 3.981 4.758 ( 1.171 0.000 -4.828) 4.968 4.780 ( -0.420 0.000 0.465) 0.627 4.938 ( 4.174 0.000 0.120) 4.176 5.010 ( 0.236 0.000 3.039) 3.048 5.020 ( 0.384 0.000 1.714) 1.757 5.185 ( 0.801 0.000 -0.957) 1.248 5.223 ( 0.159 0.000 -0.838) 0.853 5.257 ( -0.775 0.000 1.425) 1.623 5.346 ( -0.573 0.000 -1.676) 1.771 5.354 ( -0.646 0.000 0.403) 0.761 5.553 ( -1.031 0.000 1.262) 1.629 5.583 ( 0.131 0.000 -2.581) 2.584 5.593 ( 1.225 0.000 4.308) 4.478 5.611 ( -1.153 0.000 0.641) 1.320 5.628 ( 0.993 0.000 -1.857) 2.106 5.742 ( 1.544 0.000 -1.108) 1.900 5.780 ( -2.045 0.000 0.171) 2.052 5.818 ( -3.445 0.000 -3.196) 4.699 5.834 ( 0.538 0.000 -0.844) 1.001 5.980 ( 0.186 0.000 0.467) 0.503 5.992 ( 3.395 0.000 0.515) 3.434 5.996 ( 2.134 0.000 -0.644) 2.229 6.018 ( 0.967 0.000 3.008) 3.160 6.118 ( -2.029 0.000 0.245) 2.044 6.176 ( 2.151 0.000 -1.253) 2.489 6.251 ( 3.325 0.000 -0.433) 3.353 6.342 ( 8.357 0.000 -2.018) 8.597 6.392 ( 3.452 0.000 0.808) 3.545 6.483 ( 5.336 0.000 1.705) 5.602 6.572 ( -1.640 0.000 1.446) 2.186 6.650 ( -4.564 0.000 -1.635) 4.848 6.775 ( -4.928 0.000 0.983) 5.026 6.856 ( 0.538 0.000 1.317) 1.422 6.991 ( 0.239 0.000 -5.052) 5.058 7.000 ( -2.603 0.000 -1.801) 3.165 7.100 ( -1.221 0.000 2.355) 2.653 7.107 ( 1.393 0.000 2.973) 3.283 7.272 ( -1.741 0.000 1.422) 2.248 7.432 ( -1.808 0.000 2.957) 3.465 7.499 ( -2.910 0.000 -1.506) 3.276 7.711 ( 2.754 0.000 -0.375) 2.779 7.740 ( 4.537 0.000 0.379) 4.553 7.798 ( 4.833 0.000 -0.812) 4.900 7.830 ( 7.375 0.000 1.981) 7.636 9.162 ( -1.265 0.000 0.083) 1.267 9.195 ( -1.096 0.000 -0.067) 1.098 9.261 ( -1.617 0.000 -0.467) 1.683 9.308 ( -0.520 0.000 -3.620) 3.657 13.024 ( -1.418 0.000 0.091) 1.421 13.059 ( -1.164 0.000 -0.854) 1.444 13.217 ( 0.679 0.000 0.734) 1.000 13.254 ( -0.081 0.000 -0.222) 0.236 14.065 ( 0.278 0.000 -1.348) 1.376 14.092 ( -0.736 0.000 0.221) 0.768 14.154 ( 1.024 0.000 1.096) 1.500 14.313 ( 2.823 0.000 -5.240) 5.952 15.266 ( -2.311 0.000 -0.605) 2.389 15.331 ( -0.142 0.000 0.238) 0.277 15.431 ( -0.371 0.000 -0.414) 0.556 15.465 ( 3.033 0.000 0.616) 3.095 15.515 ( -1.183 0.000 2.023) 2.344 15.666 ( -0.057 0.000 0.200) 0.208 15.702 ( -1.681 0.000 0.784) 1.854 15.708 ( -1.244 0.000 -0.416) 1.312 16.257 ( 0.770 0.000 -1.266) 1.482 16.443 ( 2.342 0.000 0.641) 2.428 16.736 ( -1.672 0.000 0.311) 1.701 16.839 ( -2.831 0.000 -3.766) 4.711 17.015 ( 2.458 0.000 -0.653) 2.543 17.092 ( 0.127 0.000 -0.087) 0.154 17.100 ( 0.707 0.000 0.830) 1.090 17.123 ( -0.183 0.000 0.188) 0.262 17.653 ( -0.690 0.000 -0.867) 1.108 17.711 ( 0.820 0.000 0.057) 0.822 17.749 ( 0.883 0.000 0.232) 0.913 17.844 ( -0.567 0.000 -1.368) 1.481 17.878 ( 0.774 0.000 -1.674) 1.844 18.002 ( -0.178 0.000 -0.014) 0.178 18.231 ( -3.694 0.000 9.673) 10.354 18.312 ( -2.263 0.000 -0.161) 2.268 18.466 ( 0.776 0.000 0.189) 0.798 18.646 ( 0.336 0.000 -1.573) 1.608 18.718 ( -5.162 0.000 16.155) 16.959 18.805 ( 1.457 0.000 0.806) 1.665 18.878 ( 1.016 0.000 -2.381) 2.588 19.112 ( -0.038 0.000 0.760) 0.761 19.268 ( 0.023 0.000 0.328) 0.329 19.748 ( -1.629 0.000 0.076) 1.630 ======================= Grid point 2 (3/56) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 16.211 0.000 4.259) 16.761 0.721 ( 12.221 0.000 13.262) 18.034 1.056 ( 10.382 0.000 1.580) 10.501 1.117 ( -2.922 0.000 -2.350) 3.750 1.207 ( 8.015 0.000 -1.718) 8.198 1.232 ( 1.963 0.000 -6.810) 7.088 1.547 ( 1.218 0.000 -4.827) 4.978 1.599 ( -1.635 0.000 2.827) 3.266 1.647 ( 2.410 0.000 -7.432) 7.813 1.668 ( 1.228 0.000 0.659) 1.394 1.774 ( 1.715 0.000 8.334) 8.508 1.881 ( 10.434 0.000 -2.221) 10.668 1.907 ( 4.825 0.000 -0.793) 4.890 1.967 ( -3.891 0.000 5.573) 6.797 1.991 ( 2.802 0.000 4.046) 4.922 2.034 ( 0.168 0.000 1.446) 1.455 2.062 ( 3.345 0.000 -1.687) 3.746 2.222 ( -2.185 0.000 -4.174) 4.712 2.242 ( -3.113 0.000 0.383) 3.136 2.301 ( 2.819 0.000 2.671) 3.883 2.435 ( -0.520 0.000 1.494) 1.582 2.470 ( 2.446 0.000 -4.352) 4.992 2.631 ( 0.798 0.000 -1.520) 1.717 2.685 ( 2.075 0.000 0.840) 2.238 2.693 ( -1.962 0.000 0.340) 1.991 2.820 ( -0.017 0.000 -5.171) 5.171 2.863 ( -4.346 0.000 0.785) 4.416 2.890 ( -2.460 0.000 -1.776) 3.035 2.912 ( -1.574 0.000 -2.263) 2.756 3.019 ( -8.426 0.000 2.030) 8.667 3.108 ( -2.274 0.000 1.583) 2.771 3.144 ( -8.206 0.000 2.655) 8.624 3.219 ( 0.068 0.000 -0.311) 0.318 3.238 ( -0.557 0.000 -2.647) 2.705 3.253 ( 1.055 0.000 3.101) 3.276 3.356 ( -2.726 0.000 -4.754) 5.480 3.378 ( -3.334 0.000 1.752) 3.766 3.540 ( -1.477 0.000 3.472) 3.773 3.574 ( 0.033 0.000 -3.358) 3.358 3.625 ( 1.093 0.000 1.574) 1.916 3.681 ( -6.291 0.000 0.968) 6.365 3.695 ( -0.772 0.000 -1.058) 1.309 3.707 ( 2.190 0.000 -2.802) 3.556 3.816 ( -0.124 0.000 1.819) 1.823 3.853 ( -0.844 0.000 -2.033) 2.201 3.879 ( 2.025 0.000 -1.131) 2.319 3.916 ( -3.149 0.000 0.853) 3.263 3.955 ( -2.996 0.000 1.814) 3.502 4.080 ( 2.002 0.000 1.975) 2.812 4.263 ( -4.039 0.000 -2.435) 4.716 4.288 ( 0.959 0.000 1.093) 1.454 4.364 ( 0.097 0.000 -3.599) 3.600 4.542 ( -4.863 0.000 6.070) 7.778 4.552 ( -0.998 0.000 -2.854) 3.024 4.637 ( -3.647 0.000 0.398) 3.668 4.663 ( -1.545 0.000 -2.021) 2.544 4.709 ( -2.192 0.000 -1.559) 2.690 4.803 ( 1.083 0.000 -0.428) 1.165 5.019 ( 3.634 0.000 -4.125) 5.498 5.031 ( -0.510 0.000 7.219) 7.237 5.047 ( 1.246 0.000 2.374) 2.681 5.185 ( -0.323 0.000 -1.238) 1.280 5.208 ( -0.563 0.000 -0.635) 0.848 5.272 ( 0.782 0.000 1.223) 1.452 5.320 ( -0.802 0.000 -1.921) 2.082 5.345 ( -0.152 0.000 -0.690) 0.707 5.517 ( -1.164 0.000 -2.898) 3.123 5.602 ( 1.376 0.000 3.005) 3.305 5.623 ( 1.209 0.000 0.192) 1.224 5.628 ( 1.406 0.000 2.462) 2.835 5.663 ( 0.387 0.000 -0.800) 0.889 5.733 ( -2.855 0.000 0.774) 2.958 5.753 ( -1.241 0.000 -1.820) 2.203 5.794 ( 5.131 0.000 -0.356) 5.143 5.839 ( 1.432 0.000 -2.894) 3.229 5.979 ( -1.564 0.000 1.871) 2.439 5.999 ( -1.504 0.000 1.218) 1.935 6.014 ( -1.657 0.000 -0.913) 1.892 6.077 ( 0.853 0.000 -1.213) 1.483 6.100 ( 3.016 0.000 1.896) 3.562 6.233 ( 4.250 0.000 0.156) 4.253 6.311 ( 2.706 0.000 -0.470) 2.746 6.455 ( 1.353 0.000 3.110) 3.392 6.484 ( 4.121 0.000 1.046) 4.251 6.566 ( 1.045 0.000 -0.036) 1.045 6.569 ( -1.994 0.000 -2.238) 2.997 6.585 ( 3.269 0.000 -1.703) 3.686 6.675 ( -3.357 0.000 -1.266) 3.588 6.859 ( -3.690 0.000 0.464) 3.719 6.904 ( -1.190 0.000 2.266) 2.559 6.917 ( -5.288 0.000 -2.101) 5.690 7.064 ( -1.422 0.000 1.179) 1.847 7.216 ( 5.554 0.000 0.671) 5.594 7.350 ( 5.879 0.000 0.811) 5.935 7.413 ( -1.183 0.000 1.876) 2.218 7.427 ( -2.630 0.000 -1.478) 3.017 7.740 ( 0.340 0.000 -0.378) 0.509 7.804 ( 1.106 0.000 0.777) 1.352 7.908 ( 6.077 0.000 -1.142) 6.183 7.978 ( 5.942 0.000 0.267) 5.948 9.139 ( -0.957 0.000 0.181) 0.974 9.166 ( -1.668 0.000 -0.178) 1.677 9.224 ( -1.531 0.000 -0.326) 1.566 9.268 ( -1.838 0.000 -0.858) 2.028 12.996 ( -1.255 0.000 0.019) 1.256 13.032 ( -0.950 0.000 -0.674) 1.164 13.233 ( 0.436 0.000 0.605) 0.745 13.250 ( -0.164 0.000 -0.180) 0.243 14.065 ( 0.382 0.000 -1.010) 1.080 14.079 ( -0.557 0.000 0.201) 0.592 14.180 ( 0.846 0.000 0.756) 1.134 14.337 ( 1.652 0.000 -2.033) 2.619 15.222 ( -1.557 0.000 -0.477) 1.628 15.330 ( -0.062 0.000 -0.024) 0.066 15.419 ( -0.401 0.000 -0.464) 0.614 15.504 ( -0.752 0.000 0.876) 1.155 15.534 ( 3.473 0.000 0.464) 3.504 15.665 ( -2.542 0.000 0.758) 2.653 15.666 ( -0.060 0.000 0.184) 0.194 15.676 ( -1.485 0.000 -0.399) 1.537 16.264 ( 0.774 0.000 -1.372) 1.575 16.509 ( 3.297 0.000 2.169) 3.947 16.702 ( -1.732 0.000 0.499) 1.803 16.751 ( -3.554 0.000 -3.554) 5.026 17.055 ( 1.455 0.000 0.920) 1.721 17.092 ( -0.096 0.000 -0.356) 0.368 17.106 ( -0.178 0.000 -0.150) 0.233 17.134 ( 0.657 0.000 1.085) 1.268 17.636 ( -0.476 0.000 -0.675) 0.826 17.733 ( 1.241 0.000 -0.007) 1.241 17.767 ( 0.756 0.000 -0.015) 0.756 17.820 ( -1.322 0.000 -0.059) 1.323 17.883 ( 0.591 0.000 -1.116) 1.263 17.998 ( -0.143 0.000 -0.015) 0.144 18.217 ( -1.679 0.000 3.160) 3.578 18.266 ( -1.914 0.000 -0.208) 1.925 18.481 ( 0.492 0.000 0.382) 0.623 18.643 ( 0.345 0.000 -1.435) 1.476 18.716 ( -2.057 0.000 6.139) 6.475 18.838 ( 1.228 0.000 0.460) 1.311 18.884 ( 0.531 0.000 -0.803) 0.963 19.119 ( 0.185 0.000 1.058) 1.074 19.270 ( 0.021 0.000 0.323) 0.323 19.711 ( -1.846 0.000 -0.164) 1.853 ======================= Grid point 3 (4/56) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 0.000 0.000 0.000) 0.000 0.981 ( 0.000 0.000 0.000) 0.000 1.003 ( -0.000 0.000 -0.000) 0.000 1.014 ( -0.000 0.000 -0.000) 0.000 1.271 ( 0.000 0.000 -0.000) 0.000 1.407 ( -0.000 0.000 -0.000) 0.000 1.430 ( 0.000 0.000 0.000) 0.000 1.550 ( 0.000 0.000 0.000) 0.000 1.633 ( 0.000 0.000 0.000) 0.000 1.674 ( 0.000 0.000 0.000) 0.000 1.852 ( -0.000 0.000 -0.000) 0.000 1.895 ( 0.000 0.000 0.000) 0.000 1.973 ( 0.000 0.000 0.000) 0.000 2.020 ( 0.000 0.000 -0.000) 0.000 2.044 ( 0.000 0.000 0.000) 0.000 2.046 ( 0.000 0.000 0.000) 0.000 2.096 ( 0.000 0.000 -0.000) 0.000 2.225 ( 0.000 0.000 -0.000) 0.000 2.247 ( 0.000 0.000 0.000) 0.000 2.368 ( 0.000 0.000 0.000) 0.000 2.417 ( 0.000 0.000 0.000) 0.000 2.439 ( 0.000 0.000 0.000) 0.000 2.640 ( 0.000 0.000 0.000) 0.000 2.672 ( 0.000 0.000 0.000) 0.000 2.699 ( 0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 2.800 ( 0.000 0.000 0.000) 0.000 2.893 ( -0.000 0.000 0.000) 0.000 2.901 ( 0.000 0.000 -0.000) 0.000 2.952 ( -0.000 0.000 0.000) 0.000 3.023 ( 0.000 0.000 -0.000) 0.000 3.069 ( 0.000 0.000 0.000) 0.000 3.213 ( 0.000 0.000 0.000) 0.000 3.233 ( 0.000 0.000 0.000) 0.000 3.292 ( 0.000 0.000 0.000) 0.000 3.316 ( 0.000 0.000 0.000) 0.000 3.350 ( 0.000 0.000 -0.000) 0.000 3.536 ( 0.000 0.000 0.000) 0.000 3.566 ( 0.000 0.000 0.000) 0.000 3.613 ( 0.000 0.000 0.000) 0.000 3.639 ( 0.000 0.000 -0.000) 0.000 3.716 ( 0.000 0.000 0.000) 0.000 3.721 ( 0.000 0.000 0.000) 0.000 3.761 ( 0.000 0.000 -0.000) 0.000 3.833 ( 0.000 0.000 0.000) 0.000 3.911 ( -0.000 0.000 0.000) 0.000 3.911 ( 0.000 0.000 -0.000) 0.000 3.917 ( 0.000 0.000 0.000) 0.000 4.122 ( 0.000 0.000 0.000) 0.000 4.202 ( 0.000 0.000 0.000) 0.000 4.308 ( 0.000 0.000 0.000) 0.000 4.360 ( 0.000 0.000 0.000) 0.000 4.501 ( 0.000 0.000 0.000) 0.000 4.517 ( 0.000 0.000 0.000) 0.000 4.611 ( 0.000 0.000 0.000) 0.000 4.638 ( 0.000 0.000 0.000) 0.000 4.679 ( 0.000 0.000 0.000) 0.000 4.812 ( 0.000 0.000 0.000) 0.000 5.026 ( 0.000 0.000 -0.000) 0.000 5.067 ( 0.000 0.000 0.000) 0.000 5.077 ( 0.000 0.000 0.000) 0.000 5.169 ( 0.000 0.000 0.000) 0.000 5.201 ( 0.000 0.000 -0.000) 0.000 5.284 ( 0.000 0.000 -0.000) 0.000 5.304 ( 0.000 0.000 0.000) 0.000 5.342 ( 0.000 0.000 0.000) 0.000 5.495 ( 0.000 0.000 0.000) 0.000 5.629 ( 0.000 0.000 0.000) 0.000 5.632 ( 0.000 0.000 -0.000) 0.000 5.649 ( 0.000 0.000 -0.000) 0.000 5.691 ( 0.000 0.000 0.000) 0.000 5.694 ( 0.000 0.000 0.000) 0.000 5.727 ( 0.000 0.000 -0.000) 0.000 5.848 ( 0.000 0.000 0.000) 0.000 5.887 ( 0.000 0.000 0.000) 0.000 5.921 ( 0.000 0.000 0.000) 0.000 5.985 ( 0.000 0.000 0.000) 0.000 5.994 ( 0.000 0.000 -0.000) 0.000 6.097 ( 0.000 0.000 0.000) 0.000 6.130 ( 0.000 0.000 -0.000) 0.000 6.296 ( 0.000 0.000 0.000) 0.000 6.338 ( 0.000 0.000 0.000) 0.000 6.477 ( 0.000 0.000 0.000) 0.000 6.516 ( 0.000 0.000 -0.000) 0.000 6.549 ( 0.000 0.000 0.000) 0.000 6.557 ( 0.000 0.000 0.000) 0.000 6.587 ( 0.000 0.000 0.000) 0.000 6.683 ( 0.000 0.000 0.000) 0.000 6.814 ( 0.000 0.000 0.000) 0.000 6.831 ( 0.000 0.000 -0.000) 0.000 6.917 ( 0.000 0.000 0.000) 0.000 7.057 ( 0.000 0.000 0.000) 0.000 7.279 ( 0.000 0.000 0.000) 0.000 7.396 ( 0.000 0.000 0.000) 0.000 7.401 ( 0.000 0.000 -0.000) 0.000 7.432 ( 0.000 0.000 0.000) 0.000 7.735 ( 0.000 0.000 0.000) 0.000 7.813 ( 0.000 0.000 0.000) 0.000 7.971 ( 0.000 0.000 0.000) 0.000 8.039 ( 0.000 0.000 0.000) 0.000 9.131 ( 0.000 0.000 0.000) 0.000 9.145 ( 0.000 0.000 -0.000) 0.000 9.207 ( 0.000 0.000 0.000) 0.000 9.243 ( 0.000 0.000 -0.000) 0.000 12.983 ( 0.000 0.000 0.000) 0.000 13.020 ( 0.000 0.000 -0.000) 0.000 13.240 ( 0.000 0.000 0.000) 0.000 13.248 ( 0.000 0.000 -0.000) 0.000 14.066 ( 0.000 0.000 0.000) 0.000 14.075 ( 0.000 0.000 0.000) 0.000 14.191 ( 0.000 0.000 0.000) 0.000 14.347 ( 0.000 0.000 0.000) 0.000 15.205 ( 0.000 0.000 0.000) 0.000 15.329 ( 0.000 0.000 0.000) 0.000 15.413 ( 0.000 0.000 0.000) 0.000 15.499 ( 0.000 0.000 0.000) 0.000 15.589 ( -0.000 0.000 0.000) 0.000 15.623 ( 0.000 0.000 -0.000) 0.000 15.659 ( 0.000 0.000 0.000) 0.000 15.666 ( 0.000 0.000 0.000) 0.000 16.268 ( 0.000 0.000 0.000) 0.000 16.566 ( 0.000 0.000 0.000) 0.000 16.685 ( 0.000 0.000 0.000) 0.000 16.688 ( 0.000 0.000 0.000) 0.000 17.079 ( 0.000 0.000 0.000) 0.000 17.083 ( -0.000 0.000 -0.000) 0.000 17.103 ( 0.000 0.000 -0.000) 0.000 17.145 ( 0.000 0.000 0.000) 0.000 17.629 ( 0.000 0.000 0.000) 0.000 17.749 ( 0.000 0.000 0.000) 0.000 17.774 ( 0.000 0.000 0.000) 0.000 17.803 ( 0.000 0.000 0.000) 0.000 17.886 ( 0.000 0.000 0.000) 0.000 17.997 ( 0.000 0.000 0.000) 0.000 18.209 ( 0.000 0.000 0.000) 0.000 18.245 ( 0.000 0.000 0.000) 0.000 18.488 ( 0.000 0.000 0.000) 0.000 18.642 ( 0.000 0.000 0.000) 0.000 18.714 ( 0.000 0.000 0.000) 0.000 18.851 ( 0.000 0.000 0.000) 0.000 18.887 ( 0.000 0.000 -0.000) 0.000 19.126 ( 0.000 0.000 0.000) 0.000 19.272 ( 0.000 0.000 0.000) 0.000 19.689 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/56) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 0.000 17.498 0.000) 17.498 0.434 ( 0.000 20.071 0.000) 20.071 0.719 ( 0.000 30.792 0.000) 30.792 1.225 ( 0.000 6.728 0.000) 6.728 1.226 ( 0.000 3.126 0.000) 3.126 1.295 ( 0.000 6.272 0.000) 6.272 1.384 ( 0.000 6.818 0.000) 6.818 1.581 ( 0.000 3.551 0.000) 3.551 1.665 ( 0.000 1.595 0.000) 1.595 1.677 ( 0.000 7.762 0.000) 7.762 1.722 ( 0.000 2.835 0.000) 2.835 1.730 ( 0.000 -2.004 0.000) 2.004 1.767 ( 0.000 3.004 0.000) 3.004 1.837 ( 0.000 7.388 0.000) 7.388 1.935 ( 0.000 0.759 0.000) 0.759 1.962 ( 0.000 -0.123 0.000) 0.123 2.099 ( 0.000 4.716 0.000) 4.716 2.109 ( 0.000 8.668 0.000) 8.668 2.374 ( 0.000 7.450 0.000) 7.450 2.407 ( 0.000 -3.098 0.000) 3.098 2.431 ( 0.000 -1.135 0.000) 1.135 2.496 ( 0.000 0.314 0.000) 0.314 2.622 ( 0.000 -0.153 0.000) 0.153 2.646 ( 0.000 0.092 0.000) 0.092 2.692 ( 0.000 2.331 0.000) 2.331 2.861 ( 0.000 6.047 0.000) 6.047 2.894 ( 0.000 -6.740 0.000) 6.740 2.990 ( 0.000 -0.549 0.000) 0.549 3.083 ( 0.000 8.331 0.000) 8.331 3.108 ( 0.000 -4.845 0.000) 4.845 3.168 ( 0.000 3.391 0.000) 3.391 3.282 ( 0.000 7.341 0.000) 7.341 3.302 ( 0.000 0.365 0.000) 0.365 3.328 ( 0.000 -7.252 0.000) 7.252 3.388 ( 0.000 1.034 0.000) 1.034 3.395 ( 0.000 -3.290 0.000) 3.290 3.458 ( 0.000 -4.820 0.000) 4.820 3.523 ( 0.000 -0.823 0.000) 0.823 3.590 ( 0.000 -1.651 0.000) 1.651 3.656 ( 0.000 1.206 0.000) 1.206 3.673 ( 0.000 1.729 0.000) 1.729 3.684 ( 0.000 1.993 0.000) 1.993 3.796 ( 0.000 3.153 0.000) 3.153 3.845 ( 0.000 -5.611 0.000) 5.611 3.887 ( 0.000 0.756 0.000) 0.756 3.912 ( 0.000 3.893 0.000) 3.893 4.029 ( 0.000 2.044 0.000) 2.044 4.070 ( 0.000 -0.001 0.000) 0.001 4.180 ( 0.000 1.093 0.000) 1.093 4.228 ( 0.000 -6.830 0.000) 6.830 4.330 ( 0.000 -4.884 0.000) 4.884 4.355 ( 0.000 -7.404 0.000) 7.404 4.567 ( 0.000 -4.117 0.000) 4.117 4.574 ( 0.000 2.366 0.000) 2.366 4.675 ( 0.000 4.529 0.000) 4.529 4.703 ( 0.000 -1.228 0.000) 1.228 4.802 ( 0.000 -0.106 0.000) 0.106 4.923 ( 0.000 3.994 0.000) 3.994 4.967 ( 0.000 7.316 0.000) 7.316 5.009 ( 0.000 0.579 0.000) 0.579 5.029 ( 0.000 1.887 0.000) 1.887 5.158 ( 0.000 -1.774 0.000) 1.774 5.248 ( 0.000 1.730 0.000) 1.730 5.272 ( 0.000 0.152 0.000) 0.152 5.294 ( 0.000 -2.559 0.000) 2.559 5.359 ( 0.000 -0.680 0.000) 0.680 5.489 ( 0.000 -4.260 0.000) 4.260 5.551 ( 0.000 -1.965 0.000) 1.965 5.565 ( 0.000 0.996 0.000) 0.996 5.625 ( 0.000 -0.320 0.000) 0.320 5.694 ( 0.000 -2.385 0.000) 2.385 5.703 ( 0.000 0.523 0.000) 0.523 5.782 ( 0.000 -1.164 0.000) 1.164 5.824 ( 0.000 -3.240 0.000) 3.240 5.916 ( 0.000 -1.035 0.000) 1.035 5.929 ( 0.000 0.784 0.000) 0.784 5.936 ( 0.000 -2.254 0.000) 2.254 5.972 ( 0.000 0.410 0.000) 0.410 6.030 ( 0.000 1.162 0.000) 1.162 6.069 ( 0.000 -1.731 0.000) 1.731 6.212 ( 0.000 2.888 0.000) 2.888 6.214 ( 0.000 -2.205 0.000) 2.205 6.252 ( 0.000 5.538 0.000) 5.538 6.425 ( 0.000 0.962 0.000) 0.962 6.456 ( 0.000 -0.686 0.000) 0.686 6.612 ( 0.000 1.876 0.000) 1.876 6.670 ( 0.000 -3.484 0.000) 3.484 6.790 ( 0.000 -2.234 0.000) 2.234 6.838 ( 0.000 0.274 0.000) 0.274 6.971 ( 0.000 1.258 0.000) 1.258 6.985 ( 0.000 -1.756 0.000) 1.756 7.081 ( 0.000 -0.022 0.000) 0.022 7.163 ( 0.000 1.143 0.000) 1.143 7.293 ( 0.000 -0.802 0.000) 0.802 7.409 ( 0.000 -1.234 0.000) 1.234 7.495 ( 0.000 -5.834 0.000) 5.834 7.645 ( 0.000 0.500 0.000) 0.500 7.687 ( 0.000 2.301 0.000) 2.301 7.740 ( 0.000 0.375 0.000) 0.375 7.900 ( 0.000 -2.034 0.000) 2.034 9.164 ( 0.000 -0.836 0.000) 0.836 9.205 ( 0.000 -0.916 0.000) 0.916 9.240 ( 0.000 1.255 0.000) 1.255 9.286 ( 0.000 0.500 0.000) 0.500 13.028 ( 0.000 -0.967 0.000) 0.967 13.065 ( 0.000 -1.001 0.000) 1.001 13.205 ( 0.000 -0.139 0.000) 0.139 13.247 ( 0.000 -0.866 0.000) 0.866 14.065 ( 0.000 -0.409 0.000) 0.409 14.099 ( 0.000 -0.120 0.000) 0.120 14.129 ( 0.000 -0.753 0.000) 0.753 14.153 ( 0.000 -1.120 0.000) 1.120 15.310 ( 0.000 1.005 0.000) 1.005 15.344 ( 0.000 1.860 0.000) 1.860 15.390 ( 0.000 -2.393 0.000) 2.393 15.447 ( 0.000 0.102 0.000) 0.102 15.490 ( 0.000 -1.801 0.000) 1.801 15.656 ( 0.000 -0.836 0.000) 0.836 15.707 ( 0.000 -0.883 0.000) 0.883 15.732 ( 0.000 -2.223 0.000) 2.223 16.262 ( 0.000 1.069 0.000) 1.069 16.411 ( 0.000 0.061 0.000) 0.061 16.715 ( 0.000 -4.380 0.000) 4.380 16.886 ( 0.000 -0.874 0.000) 0.874 16.992 ( 0.000 1.474 0.000) 1.474 17.073 ( 0.000 -1.214 0.000) 1.214 17.097 ( 0.000 0.683 0.000) 0.683 17.259 ( 0.000 -0.818 0.000) 0.818 17.635 ( 0.000 -1.435 0.000) 1.435 17.714 ( 0.000 0.344 0.000) 0.344 17.726 ( 0.000 -0.823 0.000) 0.823 17.742 ( 0.000 0.487 0.000) 0.487 17.927 ( 0.000 4.210 0.000) 4.210 18.170 ( 0.000 0.789 0.000) 0.789 18.258 ( 0.000 3.407 0.000) 3.407 18.380 ( 0.000 3.281 0.000) 3.281 18.657 ( 0.000 0.708 0.000) 0.708 18.658 ( 0.000 0.904 0.000) 0.904 18.694 ( 0.000 1.383 0.000) 1.383 18.789 ( 0.000 0.322 0.000) 0.322 18.883 ( 0.000 0.969 0.000) 0.969 19.190 ( 0.000 -4.352 0.000) 4.352 19.504 ( 0.000 6.854 0.000) 6.854 19.772 ( 0.000 0.631 0.000) 0.631 ======================= Grid point 8 (6/56) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 9.657 10.718 3.904) 14.945 0.560 ( 8.669 14.353 10.204) 19.628 0.912 ( 12.327 18.827 3.006) 22.704 1.110 ( -0.987 1.968 -7.002) 7.340 1.303 ( 2.647 4.690 -0.618) 5.421 1.347 ( -3.360 10.340 -0.210) 10.874 1.445 ( 10.050 4.285 -0.706) 10.948 1.531 ( 1.246 -1.593 1.946) 2.807 1.623 ( -0.414 0.307 -4.987) 5.014 1.679 ( 0.223 5.416 1.600) 5.651 1.720 ( -1.643 -1.170 -0.201) 2.027 1.777 ( 0.100 1.883 2.081) 2.808 1.876 ( 7.105 1.595 0.845) 7.330 1.937 ( 0.320 -1.026 1.482) 1.831 1.966 ( 5.109 1.612 1.431) 5.545 2.028 ( 1.868 6.280 4.993) 8.238 2.132 ( 2.260 4.417 -2.261) 5.453 2.163 ( 7.960 0.789 -2.111) 8.273 2.338 ( -4.907 -1.673 -0.662) 5.226 2.364 ( -1.135 5.528 -0.948) 5.722 2.397 ( -3.998 -0.231 -0.203) 4.010 2.511 ( 1.660 2.347 2.401) 3.745 2.572 ( -2.392 -3.086 -1.677) 4.250 2.643 ( -0.487 -0.533 -0.097) 0.728 2.711 ( 0.453 1.811 1.109) 2.172 2.850 ( -0.141 4.568 -2.887) 5.406 2.895 ( -1.793 -3.628 3.185) 5.150 2.983 ( -1.453 -2.544 -2.915) 4.133 3.066 ( -2.172 -2.170 4.201) 5.203 3.082 ( -0.972 7.764 -1.935) 8.060 3.150 ( -2.897 2.656 -0.949) 4.043 3.219 ( -5.829 -3.328 -1.644) 6.911 3.274 ( -2.088 3.821 2.066) 4.819 3.303 ( -2.978 2.918 1.873) 4.571 3.337 ( -5.189 -3.756 0.637) 6.438 3.372 ( -0.253 -0.174 -4.430) 4.441 3.427 ( -1.065 -2.284 -3.173) 4.052 3.498 ( -1.991 -2.083 1.921) 3.463 3.560 ( -0.620 -3.079 -2.878) 4.260 3.632 ( -0.941 1.995 1.174) 2.499 3.686 ( -0.028 1.860 0.324) 1.888 3.718 ( 1.583 0.377 2.316) 2.831 3.774 ( -0.918 -0.633 -4.268) 4.412 3.836 ( 1.191 1.965 0.917) 2.474 3.906 ( -0.269 3.341 2.170) 3.993 3.939 ( -1.113 4.289 0.569) 4.467 3.995 ( -2.348 1.043 -1.512) 2.981 4.032 ( -3.330 0.428 -0.306) 3.372 4.093 ( -1.085 2.964 -1.377) 3.443 4.211 ( -0.074 -4.205 0.573) 4.245 4.327 ( -0.104 -2.801 -2.034) 3.463 4.413 ( 2.307 -5.223 -1.354) 5.868 4.546 ( -3.369 -0.881 1.892) 3.963 4.561 ( -1.063 1.913 1.907) 2.903 4.674 ( 0.223 -0.416 -1.081) 1.179 4.712 ( 0.603 0.310 -0.117) 0.688 4.769 ( -1.883 0.530 -2.476) 3.155 4.888 ( -4.255 5.798 -0.601) 7.217 4.969 ( 2.078 1.640 -0.938) 2.809 5.016 ( 0.031 0.079 1.804) 1.806 5.058 ( 0.238 3.672 4.322) 5.676 5.164 ( 0.931 -1.334 -1.136) 1.984 5.240 ( -0.010 1.116 -2.545) 2.778 5.263 ( -0.280 0.412 0.689) 0.850 5.293 ( -0.307 -3.379 -0.095) 3.394 5.360 ( 0.062 0.147 -0.104) 0.191 5.475 ( -0.073 -3.858 0.367) 3.876 5.570 ( 1.194 -1.700 0.922) 2.272 5.584 ( -0.658 -0.261 1.296) 1.477 5.611 ( -0.192 0.881 0.958) 1.316 5.673 ( -0.166 -1.071 -0.098) 1.089 5.719 ( 1.380 -0.571 -1.186) 1.907 5.752 ( -1.922 -1.231 0.076) 2.284 5.796 ( -2.038 -1.797 -1.025) 2.904 5.886 ( -1.165 2.239 -2.200) 3.349 5.942 ( 1.763 -2.528 -0.239) 3.091 5.952 ( 0.051 -2.679 1.703) 3.175 5.996 ( 1.713 0.080 -0.188) 1.725 6.052 ( 0.609 -0.398 -0.367) 0.814 6.072 ( 0.871 -0.179 0.285) 0.934 6.199 ( 0.482 -1.289 0.435) 1.444 6.254 ( 3.488 1.125 -1.160) 3.844 6.356 ( 5.930 2.968 1.534) 6.806 6.442 ( 1.628 1.547 0.543) 2.311 6.461 ( 0.494 -1.330 1.026) 1.751 6.590 ( 0.483 0.759 -2.213) 2.389 6.663 ( -0.763 1.301 0.323) 1.543 6.761 ( -2.080 -0.947 -0.041) 2.286 6.882 ( 1.479 1.052 0.388) 1.856 6.985 ( 1.327 0.273 -0.821) 1.584 7.025 ( 0.321 0.996 -0.964) 1.423 7.073 ( -0.741 -0.329 1.813) 1.985 7.162 ( 1.034 2.023 1.205) 2.572 7.211 ( -1.959 -1.420 -0.928) 2.592 7.403 ( -2.473 -2.539 1.916) 4.029 7.552 ( 0.184 0.800 -0.620) 1.029 7.633 ( 1.155 -3.787 -0.231) 3.966 7.710 ( 3.969 -2.047 0.342) 4.479 7.797 ( 3.042 -0.674 -0.400) 3.141 7.885 ( 2.983 1.969 -0.016) 3.575 9.147 ( -1.584 -1.310 0.413) 2.097 9.175 ( -1.790 -1.396 -0.975) 2.470 9.242 ( -1.389 -1.176 0.305) 1.845 9.295 ( -0.258 -0.137 -0.906) 0.952 13.015 ( -1.090 -1.465 -0.225) 1.840 13.037 ( -1.983 -0.883 -0.052) 2.171 13.215 ( 0.697 -0.186 0.509) 0.883 13.245 ( -0.008 -0.743 -0.195) 0.768 14.058 ( -0.014 -0.600 -1.197) 1.339 14.082 ( -0.890 -0.751 0.540) 1.284 14.150 ( 1.483 -0.315 0.923) 1.775 14.255 ( 5.904 -3.014 -1.842) 6.880 15.272 ( -2.406 0.538 -0.799) 2.592 15.347 ( 0.353 1.726 -0.236) 1.777 15.411 ( 0.669 -1.332 -1.065) 1.832 15.459 ( 2.223 -0.555 0.237) 2.303 15.493 ( -0.691 -1.741 2.093) 2.809 15.655 ( -0.283 -0.936 0.408) 1.059 15.694 ( -1.423 -0.747 0.389) 1.654 15.707 ( -1.691 -1.270 -0.799) 2.260 16.266 ( 0.668 0.954 -1.249) 1.707 16.436 ( 2.038 -0.159 1.352) 2.450 16.696 ( -1.735 -3.803 0.465) 4.207 16.833 ( -3.354 -0.922 -3.334) 4.818 17.022 ( 1.556 0.787 1.897) 2.577 17.060 ( -0.842 -1.282 -0.112) 1.538 17.113 ( 0.938 0.461 0.779) 1.304 17.200 ( -2.680 2.313 -2.300) 4.222 17.630 ( 0.001 -0.976 -0.489) 1.091 17.718 ( 0.697 0.251 0.060) 0.743 17.752 ( 0.902 0.383 0.233) 1.008 17.769 ( 1.912 -2.524 0.685) 3.240 17.919 ( -0.776 4.030 0.107) 4.105 18.142 ( -1.036 4.818 -3.904) 6.287 18.236 ( -2.798 2.019 4.567) 5.724 18.357 ( -2.096 3.281 -0.866) 3.989 18.563 ( -3.064 4.799 -1.760) 5.959 18.676 ( 0.968 2.409 -2.271) 3.449 18.706 ( -2.546 -0.482 8.887) 9.257 18.818 ( 1.594 0.689 2.382) 2.948 18.888 ( 0.846 0.982 -1.432) 1.932 19.107 ( -4.228 -1.153 -0.903) 4.474 19.416 ( -3.416 10.168 1.132) 10.786 19.755 ( -1.687 0.570 0.053) 1.782 ======================= Grid point 9 (7/56) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 16.227 5.040 3.710) 17.392 0.821 ( 10.552 8.435 9.690) 16.625 1.082 ( 0.602 5.798 3.955) 7.044 1.119 ( 7.664 -4.624 -4.159) 9.870 1.279 ( -3.950 6.955 -6.400) 10.243 1.309 ( -1.417 6.950 -0.466) 7.108 1.535 ( -0.196 -1.079 -1.235) 1.652 1.597 ( -6.127 -1.883 -1.720) 6.637 1.627 ( 5.697 -0.702 -2.904) 6.432 1.694 ( 4.983 -1.303 0.395) 5.166 1.746 ( 2.051 3.240 5.747) 6.909 1.853 ( 8.925 -2.427 -1.553) 9.379 1.934 ( 1.375 -0.640 -3.696) 3.995 1.986 ( -3.192 3.365 5.605) 7.275 2.000 ( 3.049 0.984 1.774) 3.662 2.048 ( -3.296 1.527 3.781) 5.244 2.139 ( -0.804 3.311 -0.789) 3.497 2.229 ( -0.700 1.858 -3.237) 3.798 2.274 ( -0.255 2.210 2.461) 3.317 2.349 ( 2.372 0.872 -0.405) 2.560 2.401 ( 4.963 4.205 -1.434) 6.661 2.535 ( 0.016 -0.935 0.523) 1.072 2.577 ( 2.201 -0.560 0.844) 2.423 2.639 ( -0.249 -3.302 1.554) 3.658 2.702 ( -1.805 2.049 -0.538) 2.783 2.788 ( -5.016 -0.050 -4.188) 6.535 2.858 ( -4.099 -1.150 0.474) 4.283 2.911 ( -2.545 0.118 -1.643) 3.032 2.976 ( -5.231 2.778 -0.853) 5.984 3.033 ( -4.446 2.037 -0.846) 4.963 3.095 ( 0.049 -2.820 0.909) 2.963 3.129 ( -8.328 -0.516 5.136) 9.798 3.183 ( -1.449 1.455 -3.204) 3.805 3.279 ( 0.450 3.819 1.822) 4.256 3.288 ( -1.732 -2.983 -2.095) 4.036 3.344 ( 0.200 -0.650 -3.701) 3.763 3.404 ( 0.021 4.847 -0.360) 4.861 3.507 ( 0.623 -0.752 4.463) 4.568 3.545 ( 0.679 -2.314 -1.690) 2.945 3.621 ( -0.781 0.482 -1.054) 1.398 3.693 ( -2.053 1.793 0.275) 2.739 3.717 ( 0.068 1.395 3.016) 3.324 3.773 ( 1.141 3.132 -1.112) 3.514 3.832 ( -0.463 0.974 -2.512) 2.734 3.882 ( -3.709 3.234 -1.998) 5.311 3.906 ( -0.908 2.701 -0.880) 2.982 3.945 ( -0.244 2.337 3.460) 4.183 3.989 ( -1.906 2.344 -0.387) 3.045 4.113 ( 1.916 2.530 0.699) 3.250 4.244 ( 2.334 0.253 -0.103) 2.350 4.316 ( 0.744 -0.534 -2.551) 2.710 4.408 ( -0.838 2.148 -2.643) 3.507 4.489 ( -2.437 -1.300 2.856) 3.973 4.560 ( -0.674 -0.594 2.262) 2.434 4.631 ( -4.114 0.001 -1.782) 4.484 4.683 ( -3.614 0.549 0.248) 3.664 4.714 ( -2.269 1.557 -1.514) 3.141 4.824 ( -0.607 2.087 -0.408) 2.211 5.025 ( 4.001 0.086 -2.766) 4.865 5.036 ( 0.837 -0.072 2.746) 2.872 5.074 ( -1.293 1.979 5.273) 5.779 5.161 ( -0.799 -0.977 -0.866) 1.530 5.223 ( -0.006 1.319 -2.200) 2.565 5.276 ( -0.602 -0.305 1.411) 1.564 5.287 ( 1.588 -2.367 -2.675) 3.909 5.363 ( 0.222 1.667 0.005) 1.681 5.515 ( 2.376 -1.286 -0.337) 2.723 5.554 ( 0.628 -0.928 -0.592) 1.267 5.601 ( 1.010 -1.754 1.400) 2.461 5.630 ( -0.081 -0.553 1.777) 1.862 5.673 ( -0.767 -1.412 -0.229) 1.623 5.717 ( -1.321 -0.150 -0.680) 1.493 5.751 ( -0.879 -1.185 2.049) 2.525 5.765 ( 2.227 -1.280 -1.292) 2.875 5.874 ( 1.125 1.800 -2.049) 2.951 5.943 ( -0.271 -3.151 -0.450) 3.194 5.970 ( -0.635 -2.114 1.462) 2.647 5.992 ( -3.969 -1.618 -0.701) 4.343 6.048 ( 3.464 -1.374 0.740) 3.799 6.134 ( 2.688 2.175 0.055) 3.458 6.231 ( 3.113 -2.702 -0.596) 4.165 6.308 ( 1.931 0.177 0.363) 1.972 6.410 ( -2.298 -3.822 0.320) 4.471 6.441 ( -0.137 -0.693 3.054) 3.135 6.501 ( 1.509 1.281 -2.421) 3.126 6.632 ( 4.253 1.262 -0.395) 4.454 6.680 ( 0.694 2.918 0.040) 2.999 6.742 ( 1.724 4.953 -0.389) 5.259 6.876 ( -2.671 1.528 -0.240) 3.087 6.933 ( -3.561 2.697 -0.671) 4.517 6.969 ( -3.954 4.917 0.237) 6.314 7.067 ( -0.663 0.050 1.122) 1.304 7.229 ( 4.866 1.215 0.768) 5.074 7.299 ( 7.116 -3.466 0.493) 7.930 7.375 ( -1.019 -2.406 0.424) 2.648 7.482 ( -4.123 3.507 -0.178) 5.416 7.668 ( 1.757 -5.690 -0.280) 5.962 7.790 ( -0.965 -2.066 0.563) 2.349 7.872 ( 7.668 -3.153 -0.663) 8.317 7.976 ( 4.085 -0.350 -0.087) 4.101 9.120 ( -1.203 -1.501 0.403) 1.965 9.135 ( -1.343 -2.557 -0.473) 2.926 9.205 ( -1.997 -1.667 -0.338) 2.623 9.254 ( -2.869 -1.226 -0.244) 3.129 12.989 ( -1.213 -0.890 -0.218) 1.520 13.004 ( -1.106 -1.895 -0.125) 2.198 13.231 ( 0.535 -0.193 0.462) 0.733 13.244 ( -0.015 -0.499 -0.130) 0.516 14.054 ( 0.201 -0.913 -0.860) 1.271 14.069 ( -0.632 -0.875 0.332) 1.129 14.185 ( 1.285 0.401 0.601) 1.474 14.321 ( 2.424 -1.296 -1.581) 3.171 15.228 ( -1.466 0.618 -0.587) 1.696 15.352 ( 0.304 2.009 -0.286) 2.052 15.406 ( -0.100 -0.834 -0.728) 1.111 15.489 ( -0.673 -1.438 1.176) 1.976 15.521 ( 3.258 -1.272 0.551) 3.540 15.645 ( -1.443 -1.365 0.694) 2.105 15.662 ( -1.652 -0.330 0.212) 1.698 15.672 ( -1.009 -0.890 -0.838) 1.585 16.271 ( 0.643 0.704 -1.295) 1.608 16.502 ( 3.261 -0.438 2.396) 4.070 16.665 ( -1.614 -3.336 0.613) 3.756 16.738 ( -3.994 -1.242 -3.289) 5.321 17.045 ( -0.205 -2.068 -0.300) 2.099 17.063 ( 1.265 0.509 1.248) 1.849 17.133 ( 0.421 -0.241 0.923) 1.043 17.153 ( -1.376 1.715 -0.896) 2.374 17.632 ( 0.431 0.100 -0.361) 0.571 17.737 ( 1.011 0.403 0.134) 1.097 17.767 ( 0.343 0.246 0.168) 0.454 17.797 ( 1.028 -1.805 -0.244) 2.092 17.903 ( -0.733 3.511 0.020) 3.587 18.107 ( -0.650 6.708 -1.530) 6.911 18.216 ( -1.520 0.415 2.403) 2.873 18.306 ( -2.132 3.015 -0.455) 3.720 18.527 ( -0.719 3.505 -0.039) 3.579 18.683 ( 0.737 3.321 -1.146) 3.589 18.706 ( -1.416 -0.677 4.078) 4.369 18.862 ( 1.178 1.703 1.935) 2.834 18.895 ( 0.657 1.110 -1.034) 1.652 19.061 ( -0.794 -2.990 -0.253) 3.104 19.386 ( -0.943 7.943 0.936) 8.054 19.716 ( -1.937 0.430 -0.138) 1.989 ======================= Grid point 10 (8/56) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 0.000 3.987 0.000) 3.987 1.036 ( -0.000 4.789 -0.000) 4.789 1.055 ( 0.000 8.080 0.000) 8.080 1.123 ( 0.000 5.355 0.000) 5.355 1.233 ( 0.000 -2.783 -0.000) 2.783 1.301 ( 0.000 -6.021 0.000) 6.021 1.381 ( 0.000 -2.144 0.000) 2.144 1.571 ( 0.000 0.795 0.000) 0.795 1.683 ( 0.000 -0.319 -0.000) 0.319 1.728 ( 0.000 3.923 0.000) 3.923 1.842 ( -0.000 -1.397 -0.000) 1.397 1.870 ( 0.000 -1.111 -0.000) 1.111 1.981 ( 0.000 -1.063 0.000) 1.063 2.003 ( 0.000 -1.114 -0.000) 1.114 2.022 ( -0.000 -2.977 0.000) 2.977 2.043 ( 0.000 2.592 -0.000) 2.592 2.110 ( 0.000 -1.757 0.000) 1.757 2.220 ( 0.000 5.632 0.000) 5.632 2.249 ( 0.000 -2.426 0.000) 2.426 2.441 ( 0.000 5.767 0.000) 5.767 2.455 ( 0.000 5.069 -0.000) 5.069 2.563 ( 0.000 -5.220 0.000) 5.220 2.571 ( -0.000 9.160 -0.000) 9.160 2.637 ( 0.000 -2.460 0.000) 2.460 2.675 ( 0.000 -1.890 0.000) 1.890 2.706 ( 0.000 -8.113 -0.000) 8.113 2.763 ( -0.000 -0.253 0.000) 0.253 2.874 ( 0.000 2.182 -0.000) 2.182 2.960 ( 0.000 4.926 0.000) 4.926 2.987 ( -0.000 -0.508 0.000) 0.508 3.019 ( 0.000 2.509 -0.000) 2.509 3.121 ( 0.000 3.588 -0.000) 3.588 3.146 ( 0.000 -4.494 0.000) 4.494 3.265 ( 0.000 -2.996 0.000) 2.996 3.298 ( 0.000 5.083 0.000) 5.083 3.333 ( 0.000 -2.463 -0.000) 2.463 3.406 ( 0.000 4.691 0.000) 4.691 3.543 ( 0.000 1.061 -0.000) 1.061 3.557 ( 0.000 0.655 0.000) 0.655 3.599 ( -0.000 -3.501 0.000) 3.501 3.641 ( 0.000 4.832 -0.000) 4.832 3.771 ( 0.000 2.502 0.000) 2.502 3.780 ( 0.000 3.049 -0.000) 3.049 3.797 ( -0.000 6.180 0.000) 6.180 3.823 ( 0.000 -1.140 0.000) 1.140 3.902 ( 0.000 0.665 0.000) 0.665 3.958 ( 0.000 3.619 0.000) 3.619 3.966 ( 0.000 2.434 0.000) 2.434 4.143 ( 0.000 2.633 0.000) 2.633 4.261 ( 0.000 3.312 -0.000) 3.312 4.322 ( 0.000 0.210 0.000) 0.210 4.386 ( 0.000 2.525 0.000) 2.525 4.516 ( 0.000 1.394 0.000) 1.394 4.521 ( -0.000 0.832 -0.000) 0.832 4.571 ( 0.000 -2.932 0.000) 2.932 4.638 ( 0.000 -0.637 0.000) 0.637 4.684 ( 0.000 1.565 -0.000) 1.565 4.823 ( 0.000 1.160 0.000) 1.160 5.045 ( 0.000 1.254 -0.000) 1.254 5.079 ( 0.000 -0.269 -0.000) 0.269 5.080 ( -0.000 0.354 0.000) 0.354 5.140 ( 0.000 -1.196 0.000) 1.196 5.216 ( 0.000 1.694 0.000) 1.694 5.265 ( 0.000 -1.987 -0.000) 1.987 5.303 ( 0.000 -0.237 0.000) 0.237 5.366 ( 0.000 2.289 0.000) 2.289 5.511 ( 0.000 1.278 0.000) 1.278 5.619 ( 0.000 -2.405 0.000) 2.405 5.619 ( 0.000 -1.052 0.000) 1.052 5.630 ( 0.000 -0.451 0.000) 0.451 5.652 ( 0.000 -2.696 0.000) 2.696 5.684 ( 0.000 -0.857 0.000) 0.857 5.743 ( 0.000 0.385 -0.000) 0.385 5.804 ( 0.000 -2.778 0.000) 2.778 5.903 ( 0.000 0.638 -0.000) 0.638 5.911 ( -0.000 -0.454 0.000) 0.454 5.940 ( 0.000 -3.943 0.000) 3.943 5.964 ( 0.000 -1.543 -0.000) 1.543 6.109 ( 0.000 -2.395 0.000) 2.395 6.147 ( -0.000 3.909 0.000) 3.909 6.287 ( 0.000 -6.163 0.000) 6.163 6.326 ( 0.000 1.148 0.000) 1.148 6.368 ( 0.000 -4.594 0.000) 4.594 6.446 ( 0.000 -1.663 0.000) 1.663 6.500 ( 0.000 2.307 -0.000) 2.307 6.656 ( 0.000 0.039 0.000) 0.039 6.721 ( 0.000 4.414 0.000) 4.414 6.762 ( 0.000 7.473 0.000) 7.473 6.844 ( 0.000 3.298 0.000) 3.298 6.872 ( 0.000 2.691 0.000) 2.691 6.936 ( 0.000 3.320 0.000) 3.320 7.066 ( 0.000 0.604 0.000) 0.604 7.295 ( 0.000 1.389 0.000) 1.389 7.360 ( 0.000 -2.906 -0.000) 2.906 7.410 ( 0.000 -1.275 0.000) 1.275 7.414 ( -0.000 1.129 0.000) 1.129 7.683 ( 0.000 -4.482 0.000) 4.482 7.773 ( 0.000 -3.603 0.000) 3.603 7.958 ( 0.000 -1.290 0.000) 1.290 8.014 ( 0.000 -2.339 0.000) 2.339 9.106 ( 0.000 -2.104 0.000) 2.104 9.128 ( 0.000 -1.436 -0.000) 1.436 9.178 ( 0.000 -2.628 0.000) 2.628 9.217 ( 0.000 -2.322 0.000) 2.322 12.975 ( 0.000 -0.724 0.000) 0.724 12.993 ( 0.000 -2.124 0.000) 2.124 13.238 ( 0.000 -0.152 0.000) 0.152 13.244 ( 0.000 -0.355 0.000) 0.355 14.054 ( 0.000 -1.001 -0.000) 1.001 14.063 ( 0.000 -0.947 0.000) 0.947 14.200 ( 0.000 0.742 0.000) 0.742 14.339 ( 0.000 -0.744 0.000) 0.744 15.212 ( 0.000 0.716 0.000) 0.716 15.355 ( 0.000 2.218 0.000) 2.218 15.403 ( 0.000 -0.698 0.000) 0.698 15.485 ( 0.000 -1.355 0.000) 1.355 15.571 ( -0.000 -1.926 0.000) 1.926 15.612 ( 0.000 -0.790 -0.000) 0.790 15.647 ( 0.000 -0.474 0.000) 0.474 15.662 ( 0.000 -0.787 0.000) 0.787 16.274 ( 0.000 0.569 0.000) 0.569 16.562 ( 0.000 -0.203 0.000) 0.203 16.646 ( 0.000 -3.508 0.000) 3.508 16.671 ( 0.000 -1.360 0.000) 1.360 17.042 ( 0.000 -2.044 0.000) 2.044 17.084 ( 0.000 -0.032 0.000) 0.032 17.134 ( 0.000 1.337 -0.000) 1.337 17.140 ( 0.000 -0.621 0.000) 0.621 17.636 ( 0.000 0.777 0.000) 0.777 17.751 ( 0.000 0.289 0.000) 0.289 17.768 ( 0.000 0.081 0.000) 0.081 17.807 ( 0.000 -0.784 0.000) 0.784 17.896 ( 0.000 3.113 0.000) 3.113 18.096 ( 0.000 6.776 0.000) 6.776 18.207 ( 0.000 0.145 0.000) 0.145 18.282 ( 0.000 2.726 0.000) 2.726 18.521 ( 0.000 2.816 0.000) 2.816 18.687 ( 0.000 3.762 -0.000) 3.762 18.704 ( 0.000 -0.733 0.000) 0.733 18.879 ( 0.000 2.180 -0.000) 2.180 18.899 ( 0.000 1.176 0.000) 1.176 19.055 ( 0.000 -3.911 0.000) 3.911 19.381 ( 0.000 7.305 0.000) 7.305 19.694 ( 0.000 0.345 0.000) 0.345 ======================= Grid point 14 (9/56) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 0.000 16.634 0.000) 16.634 0.847 ( 0.000 18.440 0.000) 18.440 1.239 ( 0.000 15.281 0.000) 15.281 1.332 ( 0.000 6.645 0.000) 6.645 1.381 ( 0.000 6.610 0.000) 6.610 1.433 ( 0.000 5.373 0.000) 5.373 1.492 ( 0.000 1.032 0.000) 1.032 1.624 ( 0.000 2.383 0.000) 2.383 1.680 ( 0.000 1.014 0.000) 1.014 1.779 ( 0.000 5.830 0.000) 5.830 1.803 ( 0.000 4.508 0.000) 4.508 1.863 ( 0.000 10.201 0.000) 10.201 1.900 ( 0.000 0.828 0.000) 0.828 1.955 ( 0.000 6.757 0.000) 6.757 1.956 ( 0.000 4.861 0.000) 4.861 2.035 ( 0.000 5.555 0.000) 5.555 2.211 ( 0.000 4.168 0.000) 4.168 2.265 ( 0.000 1.175 0.000) 1.175 2.335 ( 0.000 -3.630 0.000) 3.630 2.405 ( 0.000 0.501 0.000) 0.501 2.492 ( 0.000 -0.540 0.000) 0.540 2.516 ( 0.000 4.678 0.000) 4.678 2.632 ( 0.000 -0.366 0.000) 0.366 2.678 ( 0.000 5.053 0.000) 5.053 2.761 ( 0.000 4.729 0.000) 4.729 2.804 ( 0.000 -0.775 0.000) 0.775 2.901 ( 0.000 -2.583 0.000) 2.583 3.003 ( 0.000 -5.535 0.000) 5.535 3.036 ( 0.000 4.776 0.000) 4.776 3.115 ( 0.000 -7.859 0.000) 7.859 3.188 ( 0.000 -3.281 0.000) 3.281 3.266 ( 0.000 -3.925 0.000) 3.925 3.282 ( 0.000 4.352 0.000) 4.352 3.329 ( 0.000 2.579 0.000) 2.579 3.404 ( 0.000 0.042 0.000) 0.042 3.439 ( 0.000 0.553 0.000) 0.553 3.483 ( 0.000 -2.249 0.000) 2.249 3.491 ( 0.000 10.162 0.000) 10.162 3.608 ( 0.000 4.870 0.000) 4.870 3.637 ( 0.000 -2.520 0.000) 2.520 3.681 ( 0.000 -1.705 0.000) 1.705 3.723 ( 0.000 1.405 0.000) 1.405 3.757 ( 0.000 -1.652 0.000) 1.652 3.871 ( 0.000 -0.824 0.000) 0.824 3.943 ( 0.000 8.466 0.000) 8.466 3.958 ( 0.000 0.712 0.000) 0.712 4.033 ( 0.000 -2.452 0.000) 2.452 4.069 ( 0.000 -5.835 0.000) 5.835 4.078 ( 0.000 1.171 0.000) 1.171 4.216 ( 0.000 -0.945 0.000) 0.945 4.253 ( 0.000 -1.892 0.000) 1.892 4.256 ( 0.000 0.566 0.000) 0.566 4.507 ( 0.000 -1.629 0.000) 1.629 4.588 ( 0.000 -1.075 0.000) 1.075 4.671 ( 0.000 -1.781 0.000) 1.781 4.746 ( 0.000 0.040 0.000) 0.040 4.828 ( 0.000 3.767 0.000) 3.767 4.972 ( 0.000 0.558 0.000) 0.558 5.005 ( 0.000 0.802 0.000) 0.802 5.081 ( 0.000 2.526 0.000) 2.526 5.101 ( 0.000 3.113 0.000) 3.113 5.112 ( 0.000 -1.977 0.000) 1.977 5.246 ( 0.000 -1.276 0.000) 1.276 5.264 ( 0.000 0.524 0.000) 0.524 5.309 ( 0.000 2.172 0.000) 2.172 5.367 ( 0.000 1.985 0.000) 1.985 5.413 ( 0.000 -2.730 0.000) 2.730 5.486 ( 0.000 -4.093 0.000) 4.093 5.579 ( 0.000 -0.571 0.000) 0.571 5.607 ( 0.000 -1.530 0.000) 1.530 5.641 ( 0.000 -1.945 0.000) 1.945 5.683 ( 0.000 -1.172 0.000) 1.172 5.735 ( 0.000 -3.931 0.000) 3.931 5.745 ( 0.000 -2.411 0.000) 2.411 5.873 ( 0.000 -3.282 0.000) 3.282 5.879 ( 0.000 -1.742 0.000) 1.742 5.967 ( 0.000 1.407 0.000) 1.407 5.978 ( 0.000 -0.584 0.000) 0.584 6.014 ( 0.000 -2.392 0.000) 2.392 6.046 ( 0.000 -0.352 0.000) 0.352 6.199 ( 0.000 1.446 0.000) 1.446 6.264 ( 0.000 2.190 0.000) 2.190 6.415 ( 0.000 8.458 0.000) 8.458 6.435 ( 0.000 0.050 0.000) 0.050 6.467 ( 0.000 1.697 0.000) 1.697 6.590 ( 0.000 -3.426 0.000) 3.426 6.661 ( 0.000 2.789 0.000) 2.789 6.721 ( 0.000 -3.593 0.000) 3.593 6.848 ( 0.000 0.363 0.000) 0.363 6.941 ( 0.000 -2.138 0.000) 2.138 7.007 ( 0.000 1.784 0.000) 1.784 7.084 ( 0.000 0.264 0.000) 0.264 7.143 ( 0.000 -3.749 0.000) 3.749 7.279 ( 0.000 0.382 0.000) 0.382 7.309 ( 0.000 -10.355 0.000) 10.355 7.383 ( 0.000 -1.725 0.000) 1.725 7.679 ( 0.000 2.430 0.000) 2.430 7.742 ( 0.000 1.985 0.000) 1.985 7.749 ( 0.000 0.554 0.000) 0.554 7.844 ( 0.000 -2.772 0.000) 2.772 9.149 ( 0.000 -0.393 0.000) 0.393 9.183 ( 0.000 -1.080 0.000) 1.080 9.269 ( 0.000 1.347 0.000) 1.347 9.297 ( 0.000 0.464 0.000) 0.464 13.006 ( 0.000 -0.879 0.000) 0.879 13.037 ( 0.000 -1.440 0.000) 1.440 13.201 ( 0.000 -0.173 0.000) 0.173 13.226 ( 0.000 -1.048 0.000) 1.048 14.058 ( 0.000 -0.102 0.000) 0.102 14.095 ( 0.000 -0.202 0.000) 0.202 14.110 ( 0.000 -0.910 0.000) 0.910 14.122 ( 0.000 -1.606 0.000) 1.606 15.331 ( 0.000 0.665 0.000) 0.665 15.339 ( 0.000 -2.059 0.000) 2.059 15.399 ( 0.000 2.988 0.000) 2.988 15.442 ( 0.000 -0.476 0.000) 0.476 15.447 ( 0.000 -1.523 0.000) 1.523 15.631 ( 0.000 -1.647 0.000) 1.647 15.677 ( 0.000 -2.499 0.000) 2.499 15.680 ( 0.000 -1.504 0.000) 1.504 16.300 ( 0.000 2.391 0.000) 2.391 16.442 ( 0.000 3.254 0.000) 3.254 16.599 ( 0.000 -6.119 0.000) 6.119 16.825 ( 0.000 -4.878 0.000) 4.878 17.021 ( 0.000 1.063 0.000) 1.063 17.055 ( 0.000 -0.497 0.000) 0.497 17.110 ( 0.000 0.645 0.000) 0.645 17.226 ( 0.000 -2.232 0.000) 2.232 17.630 ( 0.000 0.940 0.000) 0.940 17.711 ( 0.000 -0.597 0.000) 0.597 17.723 ( 0.000 0.664 0.000) 0.664 17.755 ( 0.000 0.569 0.000) 0.569 18.027 ( 0.000 4.741 0.000) 4.741 18.184 ( 0.000 0.245 0.000) 0.245 18.345 ( 0.000 4.336 0.000) 4.336 18.447 ( 0.000 2.385 0.000) 2.385 18.676 ( 0.000 0.967 0.000) 0.967 18.680 ( 0.000 1.049 0.000) 1.049 18.729 ( 0.000 1.849 0.000) 1.849 18.795 ( 0.000 0.137 0.000) 0.137 18.918 ( 0.000 2.400 0.000) 2.400 19.112 ( 0.000 -3.125 0.000) 3.125 19.644 ( 0.000 5.858 0.000) 5.858 19.786 ( 0.000 0.546 0.000) 0.546 ======================= Grid point 15 (10/56) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 0.020 12.503 1.844) 12.639 0.894 ( 3.736 15.833 5.978) 17.332 1.120 ( -6.655 3.459 -6.245) 9.760 1.300 ( -4.015 7.668 4.594) 9.799 1.414 ( 3.715 9.048 2.730) 10.154 1.499 ( -1.567 -0.332 1.325) 2.079 1.523 ( -3.669 1.273 1.516) 4.169 1.586 ( 3.742 7.966 -3.179) 9.357 1.623 ( -1.622 0.211 -1.050) 1.943 1.763 ( -5.720 1.023 0.143) 5.812 1.779 ( 1.612 5.464 -1.314) 5.847 1.826 ( -1.514 7.470 -0.601) 7.646 1.930 ( 2.248 1.380 0.516) 2.688 1.995 ( 2.665 4.826 -0.464) 5.532 2.052 ( 6.436 2.909 -1.630) 7.248 2.090 ( 3.648 3.384 2.473) 5.557 2.190 ( -2.456 3.810 -1.993) 4.952 2.258 ( -5.931 -2.446 1.611) 6.615 2.288 ( 0.345 -0.418 2.439) 2.498 2.377 ( -3.675 -2.411 -0.773) 4.463 2.458 ( -0.798 4.007 1.275) 4.280 2.529 ( 1.365 -1.145 -0.151) 1.788 2.603 ( -4.486 4.526 -1.629) 6.578 2.649 ( 0.589 2.505 0.536) 2.629 2.773 ( -0.023 2.673 1.161) 2.914 2.829 ( 1.268 -0.011 3.849) 4.052 2.901 ( 0.239 -1.291 -1.458) 1.961 2.964 ( -5.625 -1.950 0.176) 5.956 3.020 ( -0.682 -0.199 -0.176) 0.732 3.104 ( -2.287 -4.946 -1.002) 5.541 3.125 ( -3.472 -1.536 -0.439) 3.822 3.221 ( -8.014 -3.209 3.086) 9.168 3.289 ( 1.634 1.801 -5.671) 6.171 3.296 ( -0.500 5.167 1.108) 5.308 3.370 ( -1.918 1.081 -3.363) 4.020 3.423 ( -0.645 1.269 -4.756) 4.964 3.444 ( -0.491 -0.292 -0.500) 0.760 3.513 ( -0.485 5.731 3.259) 6.611 3.556 ( -1.270 5.424 0.940) 5.650 3.651 ( -0.588 -0.418 1.463) 1.631 3.704 ( 2.207 1.032 -0.416) 2.472 3.759 ( 0.374 2.392 2.173) 3.253 3.783 ( 3.428 0.409 -1.785) 3.887 3.875 ( -0.084 0.659 -2.156) 2.256 3.958 ( 0.798 2.302 1.451) 2.835 3.973 ( -0.458 -0.503 2.086) 2.194 4.020 ( -1.301 -0.225 -0.774) 1.530 4.042 ( 0.048 1.998 0.635) 2.097 4.133 ( 1.747 -0.111 -3.402) 3.826 4.165 ( 1.135 1.234 -1.277) 2.108 4.275 ( 3.138 -5.669 1.020) 6.559 4.293 ( 1.343 -0.263 -2.123) 2.526 4.511 ( -0.532 -0.650 2.983) 3.099 4.592 ( 0.213 -1.175 0.486) 1.289 4.648 ( -1.652 -2.038 -0.678) 2.710 4.732 ( -0.869 0.321 -1.506) 1.768 4.816 ( -0.686 4.159 -0.643) 4.264 4.962 ( -1.159 -0.331 0.500) 1.305 4.994 ( -1.812 1.337 -0.673) 2.350 5.043 ( -2.052 3.163 1.534) 4.070 5.096 ( -1.316 -0.391 0.321) 1.409 5.162 ( 3.609 0.539 -1.195) 3.840 5.228 ( -2.477 -0.985 1.354) 2.990 5.252 ( 0.142 0.364 -1.212) 1.273 5.305 ( -0.184 2.147 -0.338) 2.181 5.381 ( 1.528 2.114 -0.095) 2.610 5.423 ( 1.533 -1.199 0.424) 1.992 5.510 ( 1.611 -3.644 1.403) 4.224 5.578 ( -1.271 -0.462 1.331) 1.898 5.614 ( 1.561 -2.724 -0.712) 3.219 5.629 ( -1.012 -0.216 -0.206) 1.055 5.681 ( -0.067 -2.637 -0.689) 2.726 5.734 ( -0.117 -1.400 0.552) 1.509 5.741 ( -0.251 -2.468 0.140) 2.485 5.866 ( -0.527 -3.311 -0.655) 3.416 5.892 ( 0.456 -2.458 1.469) 2.899 5.942 ( -0.131 1.471 -3.226) 3.547 5.992 ( 1.087 -1.068 -1.605) 2.213 6.026 ( -1.446 -0.353 -0.120) 1.494 6.062 ( 2.194 -2.191 3.029) 4.335 6.192 ( 0.032 2.105 0.401) 2.143 6.284 ( 1.650 1.731 -0.693) 2.490 6.403 ( -3.116 -1.508 0.985) 3.599 6.445 ( -0.431 1.075 2.490) 2.747 6.489 ( 4.585 3.913 -1.172) 6.140 6.595 ( 1.183 -0.021 -0.496) 1.283 6.697 ( 2.192 1.667 0.444) 2.789 6.735 ( 1.549 -1.375 0.079) 2.073 6.897 ( 3.856 0.680 -1.082) 4.062 6.979 ( 2.372 -1.812 0.368) 3.008 7.036 ( 3.383 1.352 0.095) 3.644 7.073 ( -1.584 -0.116 0.731) 1.748 7.159 ( 2.819 -1.893 -1.761) 3.825 7.223 ( -2.179 -1.261 1.497) 2.929 7.339 ( 0.929 -1.797 -0.334) 2.051 7.472 ( 5.103 -4.554 0.203) 6.843 7.631 ( 0.841 0.719 -0.017) 1.107 7.700 ( -3.967 2.013 -0.056) 4.449 7.760 ( -0.873 -2.786 -0.331) 2.939 7.893 ( 3.907 -0.819 0.111) 3.993 9.119 ( -2.678 -0.923 0.356) 2.855 9.154 ( -2.687 -0.795 -0.655) 2.878 9.226 ( -3.257 -0.254 0.469) 3.301 9.291 ( -1.942 -0.550 -0.329) 2.045 12.982 ( -1.840 -1.218 -0.089) 2.208 13.017 ( -1.949 -1.240 0.019) 2.310 13.210 ( 0.697 -0.235 0.281) 0.787 13.227 ( 0.215 -0.877 -0.109) 0.910 14.044 ( -0.617 -0.581 -0.759) 1.138 14.064 ( -1.397 -0.893 0.642) 1.778 14.145 ( 2.607 -0.062 0.499) 2.656 14.204 ( 5.565 -1.894 -0.898) 5.947 15.285 ( -1.967 0.626 -0.958) 2.276 15.381 ( 1.879 -1.514 -1.323) 2.752 15.400 ( 0.611 2.732 -1.295) 3.084 15.445 ( 1.019 -0.647 -0.156) 1.217 15.452 ( -0.794 -1.387 3.044) 3.438 15.629 ( -0.524 -1.537 0.940) 1.876 15.661 ( -0.774 -2.374 -1.861) 3.115 15.674 ( -1.079 -1.200 0.930) 1.862 16.300 ( 0.223 2.224 -0.888) 2.406 16.457 ( 1.046 2.366 1.551) 3.016 16.592 ( -0.836 -5.459 0.553) 5.551 16.784 ( -3.065 -3.852 -2.136) 5.366 17.024 ( -0.365 -0.323 -0.183) 0.521 17.050 ( -0.072 -0.070 1.126) 1.130 17.119 ( 0.320 0.234 0.564) 0.689 17.203 ( -1.583 -1.389 -1.274) 2.461 17.634 ( 0.635 1.350 -0.149) 1.499 17.721 ( 1.341 -0.063 -0.672) 1.502 17.743 ( 1.103 -0.084 1.195) 1.629 17.766 ( 0.849 0.605 0.249) 1.072 18.017 ( -0.837 4.750 -0.248) 4.830 18.185 ( 0.134 0.334 0.009) 0.361 18.320 ( -2.451 4.647 0.364) 5.266 18.423 ( -1.979 2.422 -1.077) 3.307 18.638 ( -1.962 2.654 -0.732) 3.381 18.696 ( -0.607 -0.001 2.752) 2.818 18.736 ( 1.008 2.432 -0.663) 2.715 18.825 ( 2.014 -0.075 2.206) 2.988 18.923 ( 0.755 2.352 -0.921) 2.637 19.076 ( -2.505 -1.604 -1.289) 3.242 19.602 ( -3.393 6.998 0.576) 7.799 19.767 ( -1.886 0.415 0.095) 1.934 ======================= Grid point 16 (11/56) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 11.129 3.604 3.111) 12.105 1.013 ( 2.404 1.214 2.503) 3.676 1.055 ( 5.365 6.309 -2.754) 8.728 1.254 ( -3.401 7.717 7.788) 11.479 1.358 ( -7.280 -1.602 -4.812) 8.873 1.400 ( -4.570 3.037 1.558) 5.704 1.545 ( -3.678 -1.284 0.845) 3.986 1.561 ( -6.520 1.542 -0.167) 6.702 1.615 ( 2.466 -0.437 -0.524) 2.559 1.680 ( 2.739 1.801 -2.091) 3.888 1.821 ( 0.462 3.082 -1.236) 3.353 1.865 ( 4.851 3.108 1.837) 6.047 1.938 ( -0.672 0.816 -1.217) 1.611 1.977 ( -4.431 -2.342 0.119) 5.013 2.033 ( -5.711 0.558 1.023) 5.829 2.130 ( -1.694 4.181 -1.920) 4.903 2.182 ( 3.796 1.239 -2.115) 4.519 2.191 ( -5.766 -4.183 -0.810) 7.170 2.254 ( 2.657 -0.613 5.408) 6.056 2.406 ( 2.745 -2.081 2.727) 4.393 2.488 ( 1.171 2.465 -0.750) 2.830 2.513 ( 0.841 1.024 0.232) 1.345 2.577 ( 0.300 0.978 0.758) 1.273 2.655 ( -1.322 1.629 1.422) 2.534 2.764 ( -1.048 1.951 0.181) 2.222 2.794 ( -5.530 2.205 -4.500) 7.463 2.821 ( -6.768 -1.285 1.532) 7.058 2.934 ( 3.027 3.308 -0.855) 4.565 2.998 ( -0.877 -4.011 0.609) 4.151 3.023 ( -2.021 -1.260 1.516) 2.822 3.096 ( -3.087 4.149 2.982) 5.970 3.132 ( -1.365 2.620 0.380) 2.978 3.234 ( -3.138 0.753 -5.262) 6.173 3.285 ( -1.201 4.359 -4.938) 6.695 3.313 ( -0.789 0.740 0.476) 1.182 3.384 ( -1.237 2.427 0.160) 2.729 3.470 ( 3.292 -0.884 -2.602) 4.288 3.484 ( -2.238 1.008 0.866) 2.603 3.601 ( 2.710 7.478 1.012) 8.018 3.633 ( -2.517 0.778 2.723) 3.789 3.759 ( 1.216 2.302 1.149) 2.845 3.770 ( 1.644 3.998 0.955) 4.427 3.821 ( 0.316 1.793 -0.368) 1.858 3.847 ( 0.090 1.522 -1.921) 2.452 3.956 ( -2.475 2.172 -2.566) 4.175 3.965 ( -0.506 1.545 0.175) 1.635 3.988 ( -0.340 2.003 1.505) 2.529 4.026 ( -0.863 1.011 -0.105) 1.333 4.173 ( 3.398 1.384 -1.335) 3.904 4.240 ( 3.952 -0.523 1.690) 4.330 4.287 ( 0.472 -1.376 -3.086) 3.412 4.360 ( 5.131 -3.333 -1.360) 6.268 4.524 ( 0.051 2.388 2.889) 3.749 4.563 ( -2.969 -0.431 -0.110) 3.003 4.634 ( -0.734 0.175 0.107) 0.762 4.692 ( -2.320 1.778 -0.360) 2.944 4.786 ( -2.944 4.366 0.317) 5.275 4.890 ( -4.035 3.683 -0.955) 5.546 4.998 ( 3.538 -2.737 -0.922) 4.567 5.042 ( 0.089 0.769 2.180) 2.313 5.068 ( -1.113 -1.429 -0.018) 1.812 5.181 ( -2.785 0.387 0.708) 2.900 5.214 ( 1.767 -1.661 -1.486) 2.844 5.249 ( -0.113 -0.233 0.285) 0.385 5.309 ( 1.103 3.336 -1.426) 3.792 5.413 ( 1.229 2.967 0.667) 3.280 5.485 ( 4.247 -0.807 0.344) 4.337 5.548 ( 1.766 -2.061 -2.000) 3.372 5.563 ( -0.673 -0.351 2.252) 2.376 5.611 ( -0.785 -0.754 1.097) 1.546 5.627 ( -0.449 -2.293 -0.282) 2.353 5.669 ( -0.936 -3.806 -0.391) 3.939 5.736 ( -0.460 -1.118 0.775) 1.436 5.744 ( 0.736 -0.367 0.180) 0.842 5.847 ( -0.836 -3.745 -0.353) 3.854 5.904 ( -0.008 -2.025 1.102) 2.305 5.931 ( 0.473 0.222 -2.203) 2.264 5.979 ( -2.837 0.045 0.240) 2.848 6.011 ( 1.704 -1.776 -0.685) 2.555 6.120 ( 1.789 -4.617 0.828) 5.020 6.214 ( 2.062 3.670 -0.270) 4.218 6.300 ( 0.169 -0.483 0.386) 0.641 6.354 ( -2.169 -1.677 0.289) 2.757 6.458 ( -0.120 0.773 1.556) 1.742 6.547 ( 2.364 2.510 -1.962) 3.968 6.622 ( 0.595 -0.924 1.625) 1.962 6.743 ( 2.610 1.903 -0.331) 3.247 6.785 ( 2.897 -0.589 0.160) 2.961 6.928 ( 0.195 3.105 -0.403) 3.137 6.991 ( -1.458 2.251 -0.713) 2.775 7.048 ( 0.356 0.008 -0.031) 0.357 7.112 ( -0.047 5.075 0.788) 5.136 7.208 ( 3.096 -2.250 0.169) 3.831 7.247 ( 4.612 -2.989 0.388) 5.509 7.371 ( 2.736 3.943 -0.080) 4.800 7.528 ( 2.960 -5.677 -0.136) 6.403 7.589 ( -5.843 5.797 0.003) 8.231 7.711 ( -3.127 -5.175 0.261) 6.052 7.783 ( 9.144 -5.033 -0.160) 10.438 7.951 ( 1.484 -2.198 -0.194) 2.659 9.077 ( -1.206 -2.184 0.055) 2.495 9.090 ( -2.827 -1.294 0.085) 3.110 9.162 ( -3.114 -2.090 -0.327) 3.765 9.217 ( -4.845 -2.245 0.037) 5.340 12.953 ( -0.855 -1.670 -0.121) 1.880 12.975 ( -1.944 -1.308 0.058) 2.343 13.226 ( 0.593 -0.319 0.257) 0.721 13.232 ( 0.236 -0.618 -0.043) 0.663 14.033 ( -0.163 -0.906 -0.536) 1.065 14.047 ( -0.764 -1.123 0.405) 1.417 14.197 ( 2.125 0.816 0.295) 2.295 14.288 ( 3.251 -1.708 -0.946) 3.792 15.251 ( -0.997 1.522 -0.680) 1.943 15.387 ( 0.483 0.020 -2.020) 2.077 15.414 ( 1.220 1.836 -1.054) 2.443 15.448 ( -1.350 -1.449 3.006) 3.599 15.483 ( 2.156 -2.123 0.211) 3.033 15.618 ( -1.567 -0.948 1.221) 2.201 15.635 ( -0.302 -2.358 -1.508) 2.815 15.654 ( -1.132 -0.527 0.281) 1.280 16.297 ( 0.138 1.814 -0.993) 2.072 16.501 ( 1.936 0.057 3.027) 3.593 16.578 ( -0.642 -3.928 -0.142) 3.983 16.700 ( -3.664 -2.304 -2.449) 4.974 17.010 ( -0.403 -1.110 -0.565) 1.309 17.064 ( 0.376 -0.721 1.276) 1.513 17.123 ( -0.227 -0.431 0.514) 0.708 17.164 ( -1.415 -0.554 -0.962) 1.799 17.653 ( 1.105 1.801 -0.052) 2.114 17.748 ( 1.435 0.407 -0.206) 1.506 17.765 ( 0.444 -0.194 0.505) 0.700 17.788 ( 1.207 0.578 0.193) 1.352 17.998 ( -0.781 4.882 -0.225) 4.949 18.193 ( 0.718 0.433 -0.054) 0.840 18.269 ( -2.722 4.835 0.547) 5.575 18.370 ( -2.291 2.534 -0.878) 3.527 18.602 ( -1.214 3.236 -0.296) 3.469 18.694 ( -0.791 -0.427 1.572) 1.812 18.758 ( 1.237 3.298 -0.092) 3.524 18.883 ( 1.803 -0.112 2.907) 3.423 18.934 ( 0.989 2.431 -1.447) 2.997 19.025 ( -1.590 -0.454 -1.346) 2.132 19.549 ( -2.134 6.770 0.734) 7.136 19.724 ( -2.168 0.189 -0.027) 2.176 ======================= Grid point 17 (12/56) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -0.000 -5.415 0.000) 5.415 1.058 ( 0.000 -3.063 0.000) 3.063 1.205 ( 0.000 3.608 0.000) 3.608 1.212 ( -0.000 4.319 -0.000) 4.319 1.227 ( 0.000 2.872 -0.000) 2.872 1.301 ( 0.000 4.584 -0.000) 4.584 1.367 ( 0.000 3.469 0.000) 3.469 1.593 ( 0.000 0.657 0.000) 0.657 1.662 ( 0.000 -0.766 0.000) 0.766 1.723 ( 0.000 -3.206 0.000) 3.206 1.833 ( 0.000 -0.162 -0.000) 0.162 1.848 ( -0.000 1.132 -0.000) 1.132 1.908 ( 0.000 -5.398 0.000) 5.398 1.933 ( 0.000 -5.020 -0.000) 5.020 2.008 ( 0.000 1.853 0.000) 1.853 2.100 ( 0.000 2.247 0.000) 2.247 2.112 ( 0.000 -0.946 -0.000) 0.946 2.213 ( 0.000 2.271 0.000) 2.271 2.333 ( 0.000 2.529 -0.000) 2.529 2.428 ( 0.000 -5.171 0.000) 5.171 2.501 ( -0.000 -5.157 0.000) 5.157 2.560 ( 0.000 -3.028 0.000) 3.028 2.579 ( 0.000 1.890 -0.000) 1.890 2.607 ( -0.000 1.645 -0.000) 1.645 2.710 ( 0.000 7.707 0.000) 7.707 2.749 ( 0.000 6.710 -0.000) 6.710 2.763 ( 0.000 -0.772 0.000) 0.772 2.945 ( 0.000 1.717 -0.000) 1.717 3.003 ( 0.000 -0.554 0.000) 0.554 3.046 ( -0.000 -1.317 0.000) 1.317 3.072 ( 0.000 4.931 -0.000) 4.931 3.131 ( 0.000 6.625 0.000) 6.625 3.142 ( -0.000 2.314 -0.000) 2.314 3.250 ( 0.000 -0.499 -0.000) 0.499 3.320 ( 0.000 3.444 0.000) 3.444 3.370 ( -0.000 1.908 0.000) 1.908 3.461 ( 0.000 0.462 -0.000) 0.462 3.511 ( 0.000 -3.492 0.000) 3.492 3.590 ( 0.000 3.341 0.000) 3.341 3.645 ( 0.000 6.929 -0.000) 6.929 3.760 ( 0.000 4.260 0.000) 4.260 3.806 ( 0.000 0.764 0.000) 0.764 3.811 ( 0.000 0.616 -0.000) 0.616 3.872 ( 0.000 4.837 0.000) 4.837 3.903 ( -0.000 3.161 -0.000) 3.161 3.960 ( 0.000 3.392 0.000) 3.392 3.983 ( 0.000 0.235 0.000) 0.235 4.023 ( 0.000 1.562 0.000) 1.562 4.206 ( 0.000 1.379 0.000) 1.379 4.281 ( 0.000 -0.911 -0.000) 0.911 4.293 ( 0.000 -2.776 0.000) 2.776 4.432 ( 0.000 -1.538 0.000) 1.538 4.508 ( -0.000 0.822 0.000) 0.822 4.558 ( 0.000 4.498 -0.000) 4.498 4.593 ( 0.000 3.676 0.000) 3.676 4.665 ( 0.000 3.019 0.000) 3.019 4.742 ( 0.000 4.002 -0.000) 4.002 4.856 ( 0.000 1.589 0.000) 1.589 5.029 ( 0.000 -2.814 -0.000) 2.814 5.059 ( 0.000 -0.105 -0.000) 0.105 5.088 ( 0.000 0.206 0.000) 0.206 5.125 ( -0.000 -2.657 0.000) 2.657 5.225 ( 0.000 -0.678 -0.000) 0.678 5.251 ( 0.000 -0.789 0.000) 0.789 5.319 ( 0.000 3.669 0.000) 3.669 5.428 ( 0.000 3.174 0.000) 3.174 5.531 ( 0.000 -0.181 0.000) 0.181 5.573 ( 0.000 -1.020 0.000) 1.020 5.581 ( 0.000 -2.406 -0.000) 2.406 5.598 ( -0.000 -2.076 -0.000) 2.076 5.612 ( 0.000 -0.959 0.000) 0.959 5.647 ( -0.000 -2.369 0.000) 2.369 5.731 ( 0.000 -1.254 0.000) 1.254 5.758 ( 0.000 -1.330 0.000) 1.330 5.837 ( 0.000 -4.156 0.000) 4.156 5.908 ( 0.000 -1.553 -0.000) 1.553 5.932 ( 0.000 0.043 -0.000) 0.043 5.935 ( -0.000 1.378 0.000) 1.378 6.038 ( 0.000 -3.516 0.000) 3.516 6.134 ( 0.000 -6.738 0.000) 6.738 6.249 ( 0.000 5.481 0.000) 5.481 6.307 ( 0.000 -2.013 0.000) 2.013 6.319 ( -0.000 -0.881 -0.000) 0.881 6.460 ( 0.000 0.950 0.000) 0.950 6.566 ( 0.000 3.405 0.000) 3.405 6.630 ( 0.000 -1.672 0.000) 1.672 6.773 ( 0.000 0.575 0.000) 0.575 6.818 ( -0.000 -1.590 0.000) 1.590 6.941 ( 0.000 4.216 0.000) 4.216 6.950 ( 0.000 5.545 0.000) 5.545 7.071 ( -0.000 7.241 0.000) 7.241 7.073 ( 0.000 0.225 -0.000) 0.225 7.277 ( 0.000 -4.555 0.000) 4.555 7.288 ( -0.000 -2.351 0.000) 2.351 7.460 ( 0.000 6.602 0.000) 6.602 7.471 ( -0.000 4.078 0.000) 4.078 7.572 ( 0.000 -4.743 0.000) 4.743 7.666 ( 0.000 -6.302 0.000) 6.302 7.910 ( 0.000 -3.319 0.000) 3.319 7.940 ( 0.000 -4.664 0.000) 4.664 9.055 ( 0.000 -2.269 0.000) 2.269 9.093 ( 0.000 -1.538 0.000) 1.538 9.108 ( 0.000 -3.570 -0.000) 3.570 9.156 ( 0.000 -3.113 0.000) 3.113 12.947 ( 0.000 -1.873 -0.000) 1.873 12.952 ( -0.000 -1.330 0.000) 1.330 13.233 ( 0.000 -0.346 0.000) 0.346 13.234 ( 0.000 -0.495 0.000) 0.495 14.030 ( 0.000 -1.052 -0.000) 1.052 14.040 ( 0.000 -1.133 0.000) 1.133 14.220 ( 0.000 1.164 0.000) 1.164 14.317 ( 0.000 -1.345 0.000) 1.345 15.239 ( 0.000 1.864 0.000) 1.864 15.385 ( 0.000 0.131 -0.000) 0.131 15.426 ( -0.000 3.406 0.000) 3.406 15.441 ( 0.000 -2.814 -0.000) 2.814 15.510 ( -0.000 -3.412 0.000) 3.412 15.599 ( 0.000 -0.251 0.000) 0.251 15.629 ( 0.000 -2.115 0.000) 2.115 15.642 ( -0.000 -0.264 0.000) 0.264 16.295 ( 0.000 1.561 0.000) 1.561 16.548 ( -0.000 -5.328 -0.000) 5.328 16.566 ( 0.000 0.707 0.000) 0.707 16.641 ( 0.000 -1.300 0.000) 1.300 17.005 ( 0.000 -1.293 0.000) 1.293 17.073 ( 0.000 -1.305 0.000) 1.305 17.121 ( 0.000 -0.753 0.000) 0.753 17.146 ( 0.000 -0.193 0.000) 0.193 17.665 ( -0.000 1.927 0.000) 1.927 17.766 ( -0.000 1.096 0.000) 1.096 17.767 ( 0.000 -0.411 -0.000) 0.411 17.803 ( 0.000 0.438 0.000) 0.438 17.989 ( 0.000 5.013 0.000) 5.013 18.206 ( 0.000 -0.625 -0.000) 0.625 18.236 ( -0.000 5.878 0.000) 5.878 18.342 ( 0.000 2.487 0.000) 2.487 18.589 ( 0.000 3.217 0.000) 3.217 18.690 ( 0.000 -0.556 0.000) 0.556 18.772 ( 0.000 3.630 0.000) 3.630 18.913 ( 0.000 0.047 -0.000) 0.047 18.940 ( 0.000 2.592 0.000) 2.592 19.004 ( 0.000 -0.432 0.000) 0.432 19.531 ( 0.000 6.291 0.000) 6.291 19.700 ( 0.000 0.080 0.000) 0.080 ======================= Grid point 21 (13/56) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 0.000 13.619 0.000) 13.619 1.197 ( 0.000 13.622 0.000) 13.622 1.288 ( 0.000 -6.147 0.000) 6.147 1.412 ( 0.000 -7.107 0.000) 7.107 1.480 ( 0.000 5.189 0.000) 5.189 1.511 ( 0.000 2.386 0.000) 2.386 1.527 ( 0.000 5.920 0.000) 5.920 1.670 ( 0.000 -3.050 0.000) 3.050 1.747 ( 0.000 4.183 0.000) 4.183 1.827 ( 0.000 -3.637 0.000) 3.637 1.892 ( 0.000 3.552 0.000) 3.552 1.894 ( 0.000 3.681 0.000) 3.681 2.044 ( 0.000 4.599 0.000) 4.599 2.074 ( 0.000 4.042 0.000) 4.042 2.131 ( 0.000 7.299 0.000) 7.299 2.139 ( 0.000 3.687 0.000) 3.687 2.219 ( 0.000 -1.273 0.000) 1.273 2.222 ( 0.000 -1.526 0.000) 1.526 2.306 ( 0.000 -0.613 0.000) 0.613 2.349 ( 0.000 -5.523 0.000) 5.523 2.498 ( 0.000 2.403 0.000) 2.403 2.563 ( 0.000 -1.427 0.000) 1.427 2.675 ( 0.000 4.210 0.000) 4.210 2.765 ( 0.000 1.661 0.000) 1.661 2.788 ( 0.000 -1.657 0.000) 1.657 2.799 ( 0.000 -5.431 0.000) 5.431 2.893 ( 0.000 4.029 0.000) 4.029 2.916 ( 0.000 -0.275 0.000) 0.275 3.069 ( 0.000 1.681 0.000) 1.681 3.088 ( 0.000 -0.309 0.000) 0.309 3.107 ( 0.000 -0.941 0.000) 0.941 3.162 ( 0.000 -5.474 0.000) 5.474 3.298 ( 0.000 2.972 0.000) 2.972 3.391 ( 0.000 -3.773 0.000) 3.773 3.416 ( 0.000 0.021 0.000) 0.021 3.427 ( 0.000 -0.193 0.000) 0.193 3.477 ( 0.000 3.607 0.000) 3.607 3.560 ( 0.000 -4.147 0.000) 4.147 3.665 ( 0.000 4.368 0.000) 4.368 3.671 ( 0.000 1.025 0.000) 1.025 3.734 ( 0.000 1.744 0.000) 1.744 3.738 ( 0.000 -0.496 0.000) 0.496 3.774 ( 0.000 5.872 0.000) 5.872 3.866 ( 0.000 4.045 0.000) 4.045 3.934 ( 0.000 -4.586 0.000) 4.586 3.962 ( 0.000 -3.983 0.000) 3.983 4.022 ( 0.000 1.151 0.000) 1.151 4.063 ( 0.000 -2.148 0.000) 2.148 4.100 ( 0.000 3.449 0.000) 3.449 4.153 ( 0.000 -2.686 0.000) 2.686 4.283 ( 0.000 4.338 0.000) 4.338 4.315 ( 0.000 2.038 0.000) 2.038 4.498 ( 0.000 0.712 0.000) 0.712 4.540 ( 0.000 -2.839 0.000) 2.839 4.644 ( 0.000 0.114 0.000) 0.114 4.696 ( 0.000 -3.764 0.000) 3.764 4.914 ( 0.000 3.239 0.000) 3.239 4.958 ( 0.000 -1.278 0.000) 1.278 5.030 ( 0.000 1.198 0.000) 1.198 5.060 ( 0.000 -1.792 0.000) 1.792 5.140 ( 0.000 1.228 0.000) 1.228 5.143 ( 0.000 1.529 0.000) 1.529 5.231 ( 0.000 0.766 0.000) 0.766 5.271 ( 0.000 -1.399 0.000) 1.399 5.338 ( 0.000 0.996 0.000) 0.996 5.369 ( 0.000 -1.895 0.000) 1.895 5.425 ( 0.000 0.054 0.000) 0.054 5.431 ( 0.000 2.392 0.000) 2.392 5.533 ( 0.000 -1.873 0.000) 1.873 5.562 ( 0.000 -2.634 0.000) 2.634 5.615 ( 0.000 -0.494 0.000) 0.494 5.638 ( 0.000 -2.602 0.000) 2.602 5.706 ( 0.000 0.700 0.000) 0.700 5.719 ( 0.000 -0.182 0.000) 0.182 5.818 ( 0.000 -1.215 0.000) 1.215 5.836 ( 0.000 -2.197 0.000) 2.197 5.946 ( 0.000 -1.121 0.000) 1.121 5.953 ( 0.000 -1.234 0.000) 1.234 6.017 ( 0.000 1.383 0.000) 1.383 6.038 ( 0.000 -0.639 0.000) 0.639 6.251 ( 0.000 2.810 0.000) 2.810 6.291 ( 0.000 -0.248 0.000) 0.248 6.443 ( 0.000 0.644 0.000) 0.644 6.471 ( 0.000 -2.159 0.000) 2.159 6.519 ( 0.000 3.285 0.000) 3.285 6.592 ( 0.000 -1.629 0.000) 1.629 6.694 ( 0.000 4.611 0.000) 4.611 6.728 ( 0.000 2.735 0.000) 2.735 6.861 ( 0.000 1.018 0.000) 1.018 6.897 ( 0.000 -2.098 0.000) 2.098 7.004 ( 0.000 -2.000 0.000) 2.000 7.072 ( 0.000 -5.872 0.000) 5.872 7.083 ( 0.000 0.109 0.000) 0.109 7.099 ( 0.000 -3.529 0.000) 3.529 7.305 ( 0.000 1.682 0.000) 1.682 7.344 ( 0.000 -1.924 0.000) 1.924 7.721 ( 0.000 1.242 0.000) 1.242 7.747 ( 0.000 -1.188 0.000) 1.188 7.774 ( 0.000 1.776 0.000) 1.776 7.805 ( 0.000 -1.056 0.000) 1.056 9.149 ( 0.000 0.341 0.000) 0.341 9.162 ( 0.000 -0.844 0.000) 0.844 9.293 ( 0.000 0.832 0.000) 0.832 9.302 ( 0.000 -0.064 0.000) 0.064 12.997 ( 0.000 0.068 0.000) 0.068 13.009 ( 0.000 -1.063 0.000) 1.063 13.200 ( 0.000 0.105 0.000) 0.105 13.207 ( 0.000 -0.631 0.000) 0.631 14.064 ( 0.000 0.677 0.000) 0.677 14.087 ( 0.000 -1.359 0.000) 1.359 14.092 ( 0.000 0.015 0.000) 0.015 14.097 ( 0.000 -0.529 0.000) 0.529 15.314 ( 0.000 -0.219 0.000) 0.219 15.326 ( 0.000 -0.978 0.000) 0.978 15.421 ( 0.000 0.277 0.000) 0.277 15.431 ( 0.000 -0.536 0.000) 0.536 15.489 ( 0.000 3.982 0.000) 3.982 15.573 ( 0.000 -3.654 0.000) 3.654 15.645 ( 0.000 -0.463 0.000) 0.463 15.652 ( 0.000 -0.974 0.000) 0.974 16.366 ( 0.000 3.968 0.000) 3.968 16.470 ( 0.000 -5.677 0.000) 5.677 16.549 ( 0.000 6.380 0.000) 6.380 16.695 ( 0.000 -6.916 0.000) 6.916 17.037 ( 0.000 0.502 0.000) 0.502 17.046 ( 0.000 -0.413 0.000) 0.413 17.131 ( 0.000 1.463 0.000) 1.463 17.174 ( 0.000 -2.432 0.000) 2.432 17.663 ( 0.000 1.795 0.000) 1.795 17.695 ( 0.000 -1.073 0.000) 1.073 17.742 ( 0.000 0.989 0.000) 0.989 17.758 ( 0.000 -0.372 0.000) 0.372 18.117 ( 0.000 3.511 0.000) 3.511 18.171 ( 0.000 -1.561 0.000) 1.561 18.427 ( 0.000 3.090 0.000) 3.090 18.467 ( 0.000 -0.528 0.000) 0.528 18.693 ( 0.000 0.564 0.000) 0.564 18.696 ( 0.000 0.334 0.000) 0.334 18.767 ( 0.000 1.518 0.000) 1.518 18.790 ( 0.000 -0.669 0.000) 0.669 18.981 ( 0.000 3.262 0.000) 3.262 19.049 ( 0.000 -3.001 0.000) 3.001 19.743 ( 0.000 3.328 0.000) 3.328 19.786 ( 0.000 -0.835 0.000) 0.835 ======================= Grid point 22 (14/56) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -7.189 9.916 0.574) 12.261 1.112 ( -10.633 -2.864 0.666) 11.032 1.211 ( 0.381 10.711 2.125) 10.926 1.396 ( -4.000 -2.726 -0.321) 4.851 1.426 ( -4.942 2.756 4.440) 7.192 1.550 ( -2.713 -2.770 -0.793) 3.957 1.556 ( -0.465 4.561 0.829) 4.659 1.691 ( 2.424 -3.343 1.679) 4.458 1.720 ( -0.994 7.502 -1.918) 7.807 1.749 ( -7.555 4.737 -0.228) 8.921 1.828 ( -1.512 -2.858 -2.406) 4.031 1.902 ( 0.251 -2.420 1.792) 3.022 2.014 ( -4.584 3.019 -2.658) 6.098 2.052 ( -2.251 5.321 -0.961) 5.856 2.118 ( 1.008 -0.132 -0.241) 1.045 2.149 ( -0.304 0.832 -0.419) 0.980 2.208 ( 1.903 1.818 0.553) 2.689 2.246 ( -2.135 -0.023 1.195) 2.446 2.292 ( -6.184 -0.364 -0.893) 6.258 2.336 ( 1.362 1.779 3.237) 3.937 2.493 ( -0.921 -0.912 0.462) 1.376 2.516 ( -2.947 -1.202 0.340) 3.201 2.645 ( -2.282 1.431 0.392) 2.722 2.698 ( -2.871 -0.818 0.383) 3.010 2.766 ( -1.222 -0.005 0.950) 1.548 2.835 ( -0.113 -4.742 2.083) 5.181 2.889 ( -1.221 2.141 1.510) 2.890 2.912 ( -0.555 0.285 -0.814) 1.026 3.032 ( -1.395 0.546 0.852) 1.723 3.046 ( -3.584 -0.617 -0.557) 3.679 3.147 ( 4.031 3.016 -3.305) 6.022 3.240 ( 4.938 -3.229 -2.968) 6.605 3.253 ( -3.529 4.539 0.508) 5.772 3.356 ( -1.433 -2.053 -0.616) 2.578 3.393 ( -0.553 0.906 -3.892) 4.034 3.408 ( -0.634 -0.980 -1.469) 1.876 3.487 ( -0.244 3.323 0.901) 3.451 3.556 ( -2.429 -1.966 2.371) 3.923 3.669 ( -0.416 4.861 1.428) 5.084 3.713 ( 2.374 1.204 -0.730) 2.760 3.751 ( 3.336 3.030 -0.938) 4.604 3.780 ( 4.299 -0.503 -1.534) 4.592 3.819 ( 1.724 5.327 1.348) 5.759 3.860 ( 1.164 0.335 -0.703) 1.401 3.934 ( -1.355 -3.393 2.237) 4.284 3.966 ( 0.409 -3.312 -0.239) 3.345 4.016 ( -0.131 0.535 -0.464) 0.720 4.046 ( 0.784 -2.118 -1.061) 2.495 4.145 ( 1.374 2.290 0.487) 2.715 4.191 ( 3.775 -1.627 -0.628) 4.159 4.251 ( -1.494 4.534 -0.442) 4.794 4.307 ( -0.480 0.125 -0.935) 1.059 4.517 ( 1.577 0.526 2.101) 2.679 4.540 ( 0.655 -2.398 0.487) 2.533 4.625 ( -1.244 1.306 -0.739) 1.949 4.699 ( 0.812 -3.626 -0.977) 3.842 4.896 ( -1.144 2.478 -1.065) 2.930 4.930 ( -2.052 -1.493 -0.477) 2.582 5.021 ( -1.133 1.458 0.786) 2.007 5.054 ( -0.822 -1.402 0.948) 1.881 5.143 ( -0.320 3.113 -1.439) 3.445 5.173 ( 2.256 0.602 -0.576) 2.405 5.222 ( -2.706 0.392 1.870) 3.312 5.252 ( -2.035 -1.023 0.584) 2.352 5.346 ( 1.867 1.981 -1.309) 3.021 5.392 ( 3.459 -1.844 -2.297) 4.544 5.442 ( 1.767 1.209 0.666) 2.242 5.458 ( 1.626 0.302 3.079) 3.495 5.549 ( 1.551 -1.785 -0.790) 2.494 5.565 ( -0.351 -1.118 1.316) 1.763 5.612 ( -0.030 -1.184 -0.431) 1.260 5.623 ( -1.226 -2.131 -0.257) 2.472 5.713 ( 0.253 -0.181 0.875) 0.929 5.715 ( 0.022 -0.290 -0.401) 0.495 5.815 ( -0.105 -0.745 -0.977) 1.234 5.840 ( 0.426 -2.433 -0.598) 2.541 5.947 ( 0.403 -0.168 -2.315) 2.356 5.964 ( 0.901 -1.396 -1.295) 2.107 6.028 ( -0.683 0.369 2.526) 2.642 6.034 ( 0.168 -0.266 1.379) 1.414 6.258 ( 0.429 3.271 0.810) 3.397 6.314 ( 1.580 -0.821 0.696) 1.911 6.381 ( -4.684 1.560 -1.059) 5.049 6.434 ( -0.540 -1.839 0.151) 1.922 6.564 ( 1.194 1.975 2.150) 3.154 6.598 ( 0.365 -0.632 1.823) 1.964 6.715 ( 1.623 1.544 -0.021) 2.240 6.739 ( 1.322 0.659 -1.666) 2.226 6.915 ( 4.129 1.017 -1.383) 4.472 6.940 ( 3.887 -1.363 -1.158) 4.279 7.043 ( 3.519 -0.830 0.120) 3.617 7.083 ( 1.318 1.332 0.672) 1.991 7.104 ( 1.659 -5.655 0.466) 5.911 7.118 ( 3.545 -1.933 0.037) 4.038 7.367 ( 5.481 2.530 -0.006) 6.037 7.413 ( 6.249 -1.869 0.224) 6.526 7.639 ( -5.070 1.080 -0.287) 5.191 7.690 ( -4.552 -3.353 -0.208) 5.658 7.779 ( -0.629 4.269 0.135) 4.318 7.856 ( 2.529 -2.690 0.133) 3.695 9.114 ( -3.218 0.453 0.209) 3.256 9.133 ( -2.895 -1.119 -0.045) 3.105 9.237 ( -4.724 1.244 0.004) 4.885 9.268 ( -3.867 -1.444 -0.186) 4.132 12.971 ( -2.118 0.216 -0.018) 2.129 12.988 ( -2.001 -1.267 0.034) 2.368 13.207 ( 0.612 -0.003 0.126) 0.625 13.212 ( 0.447 -0.477 -0.001) 0.654 14.038 ( -1.227 0.040 -0.162) 1.239 14.046 ( -1.561 -0.678 0.371) 1.742 14.150 ( 3.856 0.609 -0.052) 3.904 14.171 ( 4.849 -1.280 -0.533) 5.043 15.303 ( -0.391 1.236 -0.627) 1.441 15.340 ( 1.168 -2.119 -0.571) 2.486 15.419 ( -0.266 0.198 -0.430) 0.543 15.430 ( 0.387 -0.693 -0.628) 1.012 15.493 ( 0.079 3.792 0.861) 3.889 15.573 ( 0.014 -3.522 0.022) 3.522 15.635 ( -0.891 -0.046 -0.025) 0.892 15.648 ( -0.642 -1.099 0.661) 1.434 16.362 ( -0.427 3.754 0.076) 3.779 16.458 ( -1.407 -4.726 1.255) 5.089 16.558 ( 0.911 4.732 -0.346) 4.832 16.678 ( -1.263 -5.753 -1.039) 5.981 17.025 ( -1.043 0.480 -0.308) 1.189 17.040 ( -0.574 -0.757 0.611) 1.130 17.131 ( -0.174 1.021 0.067) 1.038 17.164 ( -0.750 -1.944 -0.624) 2.175 17.674 ( 1.060 2.015 -0.000) 2.277 17.709 ( 1.355 -1.127 -0.159) 1.770 17.755 ( 0.983 0.876 0.505) 1.410 17.769 ( 0.970 -0.316 0.236) 1.047 18.109 ( -0.616 3.727 -0.095) 3.779 18.169 ( -0.207 -1.804 0.208) 1.828 18.406 ( -1.984 3.162 -0.125) 3.735 18.446 ( -1.896 -0.433 -0.617) 2.041 18.680 ( -1.085 1.311 0.051) 1.702 18.695 ( -0.676 -0.216 0.962) 1.196 18.782 ( 1.474 1.852 0.274) 2.383 18.813 ( 1.772 -1.034 1.328) 2.444 18.982 ( 0.426 2.888 -0.919) 3.060 19.037 ( -0.630 -2.177 -1.145) 2.539 19.715 ( -2.608 3.686 0.301) 4.526 19.763 ( -2.187 -1.014 0.176) 2.417 ======================= Grid point 23 (15/56) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 2.326 2.990 1.438) 4.052 0.969 ( -3.033 -2.032 -0.983) 3.780 1.227 ( -2.194 3.905 3.391) 5.618 1.264 ( -6.522 -2.650 -1.719) 7.247 1.365 ( -2.606 2.668 2.252) 4.356 1.436 ( -4.374 -1.769 1.998) 5.124 1.582 ( -0.782 5.402 1.978) 5.806 1.614 ( -5.702 5.169 -0.748) 7.732 1.656 ( -2.316 3.732 -0.403) 4.411 1.714 ( -3.590 0.424 0.513) 3.651 1.773 ( -0.324 -7.642 0.184) 7.651 1.826 ( -4.709 -7.013 1.078) 8.516 1.974 ( -5.299 3.597 -3.082) 7.107 2.030 ( -1.143 5.957 -2.438) 6.537 2.047 ( -7.355 -0.903 -0.907) 7.466 2.108 ( -0.451 -1.682 0.426) 1.792 2.199 ( 1.449 1.388 -2.097) 2.902 2.204 ( -0.856 1.134 0.026) 1.421 2.234 ( -0.205 0.565 3.875) 3.921 2.352 ( -3.502 -8.646 -1.367) 9.427 2.460 ( 1.508 4.159 2.376) 5.021 2.539 ( 1.378 -1.721 2.398) 3.258 2.619 ( -0.616 2.599 -0.249) 2.683 2.673 ( -1.748 -0.178 2.468) 3.029 2.740 ( -1.893 0.294 0.489) 1.977 2.825 ( -0.677 -2.781 -0.127) 2.865 2.856 ( -1.588 2.549 -0.687) 3.081 2.900 ( -0.870 -2.794 -1.162) 3.148 2.996 ( -0.495 1.667 0.611) 1.843 3.019 ( -0.342 -0.257 -0.609) 0.745 3.179 ( 0.220 4.089 -0.239) 4.102 3.213 ( -0.435 2.017 0.220) 2.075 3.287 ( 1.360 1.472 -1.147) 2.309 3.327 ( -1.705 3.055 -1.810) 3.939 3.361 ( 0.673 0.821 -2.603) 2.811 3.403 ( 1.128 -1.284 -3.447) 3.848 3.478 ( -0.763 2.861 0.459) 2.996 3.513 ( -3.150 0.438 2.463) 4.023 3.663 ( -1.117 2.975 1.442) 3.490 3.731 ( 0.992 0.253 -1.202) 1.579 3.800 ( 1.556 2.566 -0.281) 3.014 3.827 ( -0.428 2.385 0.719) 2.527 3.867 ( 2.757 1.260 1.023) 3.199 3.886 ( 0.680 2.505 -0.532) 2.650 3.928 ( 0.771 -2.905 -0.995) 3.166 3.976 ( 0.589 -2.684 0.797) 2.861 4.016 ( 0.254 1.357 -0.270) 1.407 4.063 ( 0.347 1.156 -0.263) 1.235 4.150 ( 1.420 0.974 -1.839) 2.519 4.244 ( -0.359 -1.924 1.481) 2.455 4.261 ( 1.059 0.119 0.312) 1.111 4.310 ( 3.266 -1.965 -2.135) 4.368 4.563 ( 1.182 1.190 1.966) 2.584 4.603 ( 3.967 -1.435 1.834) 4.600 4.616 ( 2.197 5.445 -1.542) 6.071 4.722 ( 1.570 -1.404 -0.376) 2.140 4.864 ( -1.310 2.031 -0.956) 2.599 4.907 ( 0.989 -3.491 -1.148) 3.806 4.977 ( -4.535 3.481 0.457) 5.735 5.038 ( -1.389 -1.825 0.528) 2.353 5.089 ( -2.741 3.815 0.151) 4.701 5.162 ( -4.301 -1.384 0.372) 4.534 5.203 ( 1.200 -0.693 -1.099) 1.768 5.222 ( -1.034 -1.597 1.313) 2.312 5.392 ( 2.810 3.721 -1.421) 4.875 5.454 ( 3.500 -1.487 -1.284) 4.014 5.486 ( 0.610 1.713 1.381) 2.284 5.506 ( 2.102 -1.024 0.038) 2.339 5.559 ( 0.032 0.230 1.430) 1.449 5.581 ( 0.793 -1.890 0.418) 2.092 5.601 ( -0.093 -0.513 -0.278) 0.591 5.611 ( -0.162 -1.035 -0.413) 1.126 5.713 ( -0.317 -0.561 0.181) 0.669 5.723 ( 0.073 -1.412 0.843) 1.646 5.800 ( -0.475 -0.006 -1.352) 1.433 5.841 ( 0.060 -3.126 -0.318) 3.143 5.940 ( 0.391 0.513 -1.077) 1.256 5.966 ( 0.539 -1.400 -0.877) 1.738 6.009 ( -2.080 1.299 0.992) 2.645 6.043 ( -1.098 -2.149 0.992) 2.609 6.276 ( 0.454 1.268 1.614) 2.102 6.303 ( -1.563 -0.839 0.194) 1.785 6.357 ( 1.432 3.744 -0.773) 4.083 6.440 ( 0.713 -2.666 0.236) 2.770 6.593 ( 1.408 1.995 0.190) 2.449 6.620 ( 0.148 0.171 2.000) 2.012 6.744 ( 1.090 -1.169 0.579) 1.700 6.753 ( 1.291 -1.511 -1.771) 2.662 6.977 ( 2.698 1.329 -0.670) 3.081 6.999 ( 2.715 -0.906 -0.989) 3.029 7.085 ( 1.267 2.990 0.238) 3.256 7.131 ( 3.570 -1.365 0.542) 3.860 7.189 ( 4.802 -0.615 0.623) 4.881 7.214 ( 3.573 -0.995 -0.293) 3.721 7.460 ( -1.174 2.605 -0.086) 2.858 7.501 ( 6.792 5.417 0.205) 8.691 7.585 ( -5.424 -5.626 0.123) 7.816 7.654 ( 6.797 -5.958 -0.085) 9.039 7.745 ( -2.503 6.730 -0.011) 7.180 7.876 ( -0.776 -4.972 -0.122) 5.033 9.052 ( -2.577 -0.104 0.053) 2.580 9.066 ( -3.257 -1.127 0.225) 3.454 9.137 ( -4.778 0.143 -0.260) 4.787 9.166 ( -5.723 -2.237 -0.048) 6.145 12.934 ( -1.367 -0.077 -0.008) 1.369 12.947 ( -1.853 -1.178 0.032) 2.196 13.220 ( 0.524 -0.145 0.130) 0.559 13.221 ( 0.421 -0.288 0.029) 0.511 14.021 ( -0.513 -0.161 -0.139) 0.555 14.027 ( -0.730 -0.685 0.215) 1.024 14.220 ( 2.884 1.315 -0.080) 3.171 14.252 ( 3.343 -1.645 -0.477) 3.756 15.295 ( -0.081 2.633 -0.560) 2.693 15.359 ( 1.080 -3.054 -0.772) 3.330 15.407 ( -0.493 0.709 -0.447) 0.973 15.438 ( 0.554 -1.927 -0.340) 2.034 15.500 ( 0.103 3.630 0.759) 3.710 15.574 ( 0.040 -3.186 -0.035) 3.187 15.616 ( -0.958 0.591 0.270) 1.157 15.637 ( -0.762 -1.070 0.439) 1.385 16.352 ( -0.551 3.407 -0.081) 3.452 16.441 ( -1.068 -4.640 1.415) 4.967 16.575 ( 0.998 2.698 -0.180) 2.882 16.641 ( -1.521 -3.110 -1.190) 3.661 17.004 ( -0.759 0.632 -0.246) 1.018 17.033 ( -0.495 -1.821 0.557) 1.967 17.124 ( -0.468 0.544 0.027) 0.718 17.143 ( -0.799 -1.141 -0.525) 1.488 17.698 ( 1.191 2.193 0.023) 2.496 17.737 ( 1.268 -1.277 -0.025) 1.800 17.779 ( 1.015 0.974 0.329) 1.445 17.793 ( 1.148 -0.258 0.218) 1.197 18.097 ( -0.447 4.214 -0.030) 4.238 18.169 ( 0.046 -2.357 0.270) 2.372 18.360 ( -2.214 3.246 -0.101) 3.930 18.398 ( -2.206 -0.189 -0.562) 2.284 18.658 ( -0.975 1.890 -0.148) 2.132 18.684 ( -0.734 -0.676 0.353) 1.058 18.818 ( 1.426 2.363 0.880) 2.897 18.861 ( 1.633 -1.668 1.858) 2.984 18.988 ( 0.841 2.265 -1.254) 2.722 19.019 ( -0.260 -0.639 -1.303) 1.474 19.663 ( -2.475 3.835 0.381) 4.581 19.715 ( -2.405 -1.233 0.146) 2.707 ======================= Grid point 24 (16/56) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 0.000 -2.047 0.000) 2.047 0.971 ( 0.000 -3.373 0.000) 3.373 1.199 ( -0.000 -1.535 -0.000) 1.535 1.200 ( 0.000 -1.620 0.000) 1.620 1.343 ( 0.000 5.564 0.000) 5.564 1.407 ( 0.000 1.296 0.000) 1.296 1.498 ( 0.000 6.318 -0.000) 6.318 1.599 ( 0.000 -1.922 0.000) 1.922 1.661 ( 0.000 1.022 0.000) 1.022 1.672 ( 0.000 1.737 -0.000) 1.737 1.800 ( -0.000 -4.610 0.000) 4.610 1.802 ( 0.000 -5.544 -0.000) 5.544 1.857 ( 0.000 0.993 0.000) 0.993 1.868 ( 0.000 0.222 0.000) 0.222 2.069 ( -0.000 3.496 0.000) 3.496 2.099 ( 0.000 0.513 0.000) 0.513 2.176 ( 0.000 4.151 0.000) 4.151 2.235 ( -0.000 -1.010 0.000) 1.010 2.266 ( 0.000 -5.085 -0.000) 5.085 2.288 ( 0.000 -6.664 0.000) 6.664 2.500 ( 0.000 4.045 0.000) 4.045 2.548 ( 0.000 0.319 0.000) 0.319 2.617 ( 0.000 1.142 -0.000) 1.142 2.660 ( 0.000 -0.155 -0.000) 0.155 2.716 ( 0.000 1.547 0.000) 1.547 2.820 ( 0.000 -1.890 0.000) 1.890 2.838 ( 0.000 3.106 0.000) 3.106 2.882 ( 0.000 -3.609 0.000) 3.609 2.997 ( 0.000 0.852 0.000) 0.852 3.020 ( 0.000 -0.902 0.000) 0.902 3.177 ( 0.000 3.272 0.000) 3.272 3.212 ( 0.000 -0.157 0.000) 0.157 3.291 ( -0.000 5.737 -0.000) 5.737 3.299 ( 0.000 5.977 0.000) 5.977 3.380 ( 0.000 -0.138 0.000) 0.138 3.393 ( 0.000 -1.191 0.000) 1.191 3.475 ( 0.000 2.394 -0.000) 2.394 3.480 ( 0.000 1.180 0.000) 1.180 3.653 ( 0.000 2.717 -0.000) 2.717 3.740 ( 0.000 -2.147 0.000) 2.147 3.815 ( -0.000 2.013 0.000) 2.013 3.819 ( 0.000 1.766 0.000) 1.766 3.882 ( 0.000 4.754 -0.000) 4.754 3.905 ( 0.000 -0.205 0.000) 0.205 3.930 ( -0.000 -0.393 0.000) 0.393 3.985 ( 0.000 -3.034 0.000) 3.034 4.025 ( -0.000 3.496 0.000) 3.496 4.061 ( 0.000 3.343 0.000) 3.343 4.170 ( 0.000 -2.698 0.000) 2.698 4.229 ( 0.000 -4.317 -0.000) 4.317 4.274 ( 0.000 2.347 -0.000) 2.347 4.351 ( 0.000 -4.295 0.000) 4.295 4.585 ( -0.000 3.937 0.000) 3.937 4.628 ( -0.000 0.117 -0.000) 0.117 4.684 ( 0.000 5.014 -0.000) 5.014 4.731 ( 0.000 2.011 -0.000) 2.011 4.865 ( 0.000 7.370 0.000) 7.370 4.879 ( 0.000 0.843 -0.000) 0.843 4.950 ( 0.000 -5.423 -0.000) 5.423 5.011 ( 0.000 -4.905 0.000) 4.905 5.075 ( 0.000 0.384 0.000) 0.384 5.095 ( -0.000 -0.072 -0.000) 0.072 5.211 ( 0.000 -1.186 -0.000) 1.186 5.217 ( 0.000 -0.741 0.000) 0.741 5.418 ( 0.000 4.296 0.000) 4.296 5.484 ( 0.000 1.899 0.000) 1.899 5.492 ( 0.000 -2.759 0.000) 2.759 5.528 ( 0.000 -2.396 -0.000) 2.396 5.573 ( 0.000 0.257 0.000) 0.257 5.584 ( -0.000 0.695 -0.000) 0.695 5.606 ( 0.000 0.143 -0.000) 0.143 5.606 ( -0.000 -0.867 0.000) 0.867 5.707 ( 0.000 -0.561 0.000) 0.561 5.726 ( 0.000 -2.033 -0.000) 2.033 5.790 ( 0.000 0.415 0.000) 0.415 5.841 ( 0.000 -3.595 0.000) 3.595 5.956 ( -0.000 0.820 0.000) 0.820 5.960 ( 0.000 1.459 0.000) 1.459 5.993 ( 0.000 -0.693 0.000) 0.693 6.017 ( 0.000 -3.946 0.000) 3.946 6.283 ( 0.000 -0.108 0.000) 0.108 6.298 ( 0.000 -1.117 -0.000) 1.117 6.369 ( -0.000 5.207 0.000) 5.207 6.450 ( 0.000 -2.126 0.000) 2.126 6.613 ( 0.000 0.667 0.000) 0.667 6.624 ( 0.000 1.323 0.000) 1.323 6.760 ( 0.000 -1.379 -0.000) 1.379 6.760 ( -0.000 -2.403 0.000) 2.403 7.005 ( 0.000 1.596 0.000) 1.596 7.020 ( 0.000 0.324 -0.000) 0.324 7.116 ( 0.000 4.060 0.000) 4.060 7.189 ( 0.000 -2.735 0.000) 2.735 7.208 ( 0.000 4.038 0.000) 4.038 7.245 ( 0.000 -1.043 0.000) 1.043 7.453 ( 0.000 -1.793 0.000) 1.793 7.519 ( 0.000 -6.506 0.000) 6.506 7.634 ( -0.000 8.192 0.000) 8.192 7.639 ( 0.000 7.558 0.000) 7.558 7.810 ( 0.000 -5.952 0.000) 5.952 7.817 ( -0.000 -6.616 -0.000) 6.616 9.024 ( 0.000 -0.444 0.000) 0.444 9.043 ( 0.000 -2.190 0.000) 2.190 9.075 ( 0.000 0.018 -0.000) 0.018 9.098 ( -0.000 -2.068 0.000) 2.068 12.921 ( 0.000 -0.485 0.000) 0.485 12.927 ( -0.000 -0.889 0.000) 0.889 13.226 ( 0.000 -0.204 0.000) 0.204 13.226 ( 0.000 -0.211 -0.000) 0.211 14.015 ( 0.000 -0.259 0.000) 0.259 14.020 ( 0.000 -0.645 0.000) 0.645 14.249 ( 0.000 1.550 0.000) 1.550 14.284 ( 0.000 -1.643 0.000) 1.643 15.292 ( 0.000 3.153 0.000) 3.153 15.368 ( 0.000 -3.764 0.000) 3.764 15.400 ( 0.000 1.349 0.000) 1.349 15.443 ( 0.000 -2.692 -0.000) 2.692 15.504 ( 0.000 3.606 0.000) 3.606 15.574 ( 0.000 -2.970 -0.000) 2.970 15.606 ( 0.000 0.910 0.000) 0.910 15.630 ( -0.000 -0.997 0.000) 0.997 16.345 ( 0.000 3.263 0.000) 3.263 16.435 ( 0.000 -5.000 -0.000) 5.000 16.590 ( -0.000 1.342 0.000) 1.342 16.616 ( 0.000 -1.135 0.000) 1.135 16.996 ( 0.000 0.622 0.000) 0.622 17.029 ( 0.000 -2.272 0.000) 2.272 17.118 ( 0.000 0.394 0.000) 0.394 17.133 ( 0.000 -0.813 0.000) 0.813 17.711 ( 0.000 2.167 0.000) 2.167 17.750 ( 0.000 -1.314 0.000) 1.314 17.791 ( 0.000 1.127 0.000) 1.127 17.807 ( 0.000 -0.268 0.000) 0.268 18.093 ( 0.000 4.495 0.000) 4.495 18.171 ( 0.000 -2.708 -0.000) 2.708 18.335 ( 0.000 3.282 0.000) 3.282 18.371 ( 0.000 -0.049 0.000) 0.049 18.647 ( 0.000 2.063 0.000) 2.063 18.677 ( 0.000 -0.855 0.000) 0.855 18.836 ( 0.000 2.527 0.000) 2.527 18.884 ( 0.000 -2.051 0.000) 2.051 18.994 ( 0.000 1.994 0.000) 1.994 19.013 ( 0.000 0.224 0.000) 0.224 19.638 ( 0.000 3.677 0.000) 3.677 19.689 ( 0.000 -1.266 0.000) 1.266 ======================= Grid point 49 (17/56) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.334 ( 3.135 0.000 16.353) 16.651 0.391 ( -2.270 0.000 18.972) 19.108 0.877 ( -3.579 0.000 38.607) 38.773 0.950 ( -5.248 0.000 -12.634) 13.681 1.086 ( -0.030 0.000 -12.399) 12.399 1.269 ( -3.773 0.000 5.258) 6.472 1.352 ( 2.501 0.000 6.149) 6.638 1.462 ( 4.761 0.000 -4.686) 6.680 1.554 ( -4.310 0.000 2.185) 4.833 1.652 ( 6.744 0.000 -2.765) 7.289 1.661 ( -0.175 0.000 -1.800) 1.808 1.696 ( -4.330 0.000 -1.241) 4.505 1.809 ( 11.357 0.000 1.413) 11.444 1.890 ( -4.036 0.000 -2.715) 4.865 1.915 ( 2.557 0.000 -4.675) 5.328 1.926 ( 1.326 0.000 9.384) 9.477 1.963 ( 0.519 0.000 2.678) 2.728 2.213 ( -5.809 0.000 7.131) 9.198 2.227 ( 0.786 0.000 -3.889) 3.967 2.425 ( 0.943 0.000 -0.254) 0.977 2.479 ( -2.754 0.000 -0.332) 2.774 2.492 ( 0.491 0.000 3.237) 3.274 2.603 ( 0.528 0.000 -5.317) 5.343 2.622 ( -0.404 0.000 -1.468) 1.523 2.697 ( 1.555 0.000 3.555) 3.881 2.738 ( -1.411 0.000 -3.060) 3.370 2.902 ( 1.477 0.000 -5.852) 6.036 2.966 ( -1.263 0.000 0.618) 1.407 3.041 ( -0.040 0.000 -7.264) 7.264 3.057 ( 5.323 0.000 3.451) 6.343 3.113 ( 1.810 0.000 -2.230) 2.872 3.157 ( 1.334 0.000 -1.235) 1.817 3.272 ( -1.430 0.000 0.230) 1.448 3.359 ( -0.816 0.000 0.809) 1.149 3.389 ( 1.623 0.000 1.371) 2.124 3.399 ( -0.947 0.000 -8.314) 8.368 3.468 ( 1.364 0.000 1.726) 2.200 3.545 ( -1.586 0.000 -2.855) 3.266 3.596 ( -3.794 0.000 -2.037) 4.306 3.613 ( -1.848 0.000 -2.065) 2.771 3.631 ( -2.463 0.000 2.029) 3.191 3.709 ( 5.711 0.000 0.562) 5.738 3.746 ( 2.380 0.000 2.621) 3.540 3.841 ( -0.047 0.000 0.993) 0.994 3.911 ( 0.349 0.000 1.784) 1.817 3.916 ( -1.776 0.000 2.536) 3.096 3.966 ( -1.830 0.000 -2.178) 2.845 4.034 ( 1.149 0.000 -2.394) 2.655 4.084 ( -0.401 0.000 4.193) 4.212 4.312 ( 3.267 0.000 -2.552) 4.145 4.374 ( -1.951 0.000 -1.231) 2.306 4.447 ( -3.940 0.000 -1.972) 4.406 4.515 ( 1.257 0.000 1.514) 1.967 4.597 ( 4.355 0.000 -1.694) 4.673 4.681 ( -0.071 0.000 1.019) 1.022 4.740 ( -0.251 0.000 -1.522) 1.542 4.784 ( -0.949 0.000 2.668) 2.831 4.855 ( -3.825 0.000 4.884) 6.203 4.878 ( -0.114 0.000 -1.475) 1.479 5.041 ( 2.091 0.000 2.499) 3.259 5.146 ( 1.333 0.000 -5.089) 5.260 5.152 ( -3.525 0.000 3.215) 4.771 5.174 ( -0.951 0.000 -0.653) 1.154 5.279 ( 0.947 0.000 0.465) 1.055 5.318 ( -0.364 0.000 -2.593) 2.619 5.339 ( 1.570 0.000 -0.745) 1.738 5.513 ( 3.905 0.000 -1.909) 4.346 5.566 ( -3.601 0.000 -2.843) 4.588 5.637 ( 0.192 0.000 2.016) 2.025 5.644 ( 0.783 0.000 4.872) 4.934 5.671 ( 1.476 0.000 1.070) 1.823 5.732 ( -3.479 0.000 1.012) 3.623 5.797 ( 0.378 0.000 0.691) 0.788 5.861 ( -0.953 0.000 -1.136) 1.483 5.865 ( -1.643 0.000 2.257) 2.792 5.954 ( -1.600 0.000 -1.003) 1.888 5.979 ( 0.855 0.000 -1.342) 1.591 5.988 ( -0.961 0.000 1.645) 1.905 6.001 ( 3.141 0.000 1.518) 3.489 6.112 ( 0.982 0.000 -2.762) 2.932 6.116 ( -0.276 0.000 -1.734) 1.756 6.206 ( 1.006 0.000 -1.486) 1.795 6.235 ( -2.377 0.000 0.763) 2.496 6.329 ( -0.727 0.000 -1.914) 2.047 6.539 ( 0.779 0.000 9.282) 9.314 6.610 ( 1.693 0.000 1.882) 2.532 6.721 ( -1.699 0.000 0.570) 1.793 6.857 ( 0.886 0.000 0.975) 1.318 6.875 ( 1.443 0.000 -1.915) 2.398 6.977 ( -1.652 0.000 0.805) 1.838 7.020 ( -10.369 0.000 -4.203) 11.189 7.074 ( 3.172 0.000 -2.632) 4.122 7.175 ( 2.379 0.000 2.860) 3.720 7.319 ( -2.070 0.000 -4.128) 4.618 7.463 ( 5.466 0.000 1.729) 5.733 7.516 ( -2.330 0.000 -0.907) 2.500 7.673 ( 1.770 0.000 -0.039) 1.771 7.691 ( 1.942 0.000 0.921) 2.149 7.694 ( 0.503 0.000 -0.759) 0.911 7.730 ( -0.373 0.000 -0.503) 0.626 9.175 ( -0.651 0.000 0.098) 0.659 9.198 ( 0.203 0.000 -0.698) 0.727 9.232 ( -0.187 0.000 1.131) 1.146 9.274 ( -0.390 0.000 -0.592) 0.709 13.043 ( 0.081 0.000 0.318) 0.328 13.068 ( -0.159 0.000 -0.702) 0.720 13.222 ( 0.143 0.000 0.827) 0.839 13.252 ( -0.207 0.000 -0.371) 0.425 14.075 ( -2.270 0.000 0.576) 2.342 14.097 ( 2.253 0.000 -0.291) 2.272 14.140 ( 1.721 0.000 0.252) 1.739 14.160 ( -1.866 0.000 -0.485) 1.928 15.299 ( -1.024 0.000 0.016) 1.024 15.314 ( 1.149 0.000 -1.027) 1.541 15.425 ( 1.096 0.000 0.115) 1.102 15.448 ( -0.457 0.000 0.198) 0.498 15.569 ( -0.460 0.000 2.485) 2.527 15.680 ( -0.139 0.000 1.223) 1.230 15.694 ( 0.538 0.000 -1.859) 1.935 15.724 ( 0.362 0.000 -0.389) 0.531 16.278 ( -2.129 0.000 2.425) 3.227 16.416 ( 1.318 0.000 -2.724) 3.026 16.752 ( 0.537 0.000 0.206) 0.575 16.837 ( -1.970 0.000 -3.674) 4.169 17.088 ( -2.315 0.000 1.089) 2.558 17.103 ( 0.758 0.000 1.196) 1.416 17.104 ( -2.338 0.000 1.285) 2.668 17.120 ( 0.110 0.000 -0.543) 0.554 17.676 ( -1.594 0.000 1.028) 1.897 17.708 ( -0.057 0.000 0.328) 0.332 17.735 ( 0.534 0.000 -0.169) 0.560 17.742 ( 3.025 0.000 -1.019) 3.193 17.902 ( -0.167 0.000 2.279) 2.285 17.991 ( 0.349 0.000 -1.257) 1.305 18.313 ( 2.145 0.000 0.827) 2.299 18.337 ( -0.209 0.000 -0.158) 0.262 18.481 ( -0.660 0.000 2.383) 2.473 18.618 ( 0.711 0.000 -2.747) 2.838 18.769 ( 0.331 0.000 -0.568) 0.657 18.777 ( 1.433 0.000 -0.710) 1.599 19.111 ( 0.764 0.000 0.231) 0.798 19.187 ( -1.339 0.000 -4.216) 4.424 19.489 ( -3.759 0.000 7.295) 8.206 19.729 ( 1.294 0.000 -3.440) 3.675 ======================= Grid point 50 (18/56) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 8.370 0.000 15.768) 17.852 0.676 ( 14.619 0.000 11.272) 18.460 0.934 ( 9.975 0.000 -9.688) 13.905 1.061 ( 5.574 0.000 -10.702) 12.066 1.104 ( 3.062 0.000 27.869) 28.037 1.200 ( -5.001 0.000 2.832) 5.747 1.466 ( 6.205 0.000 0.844) 6.262 1.471 ( -2.913 0.000 -2.193) 3.646 1.572 ( 7.119 0.000 -0.452) 7.133 1.640 ( -0.938 0.000 0.561) 1.093 1.699 ( 4.304 0.000 -5.224) 6.768 1.776 ( 6.544 0.000 -3.291) 7.324 1.809 ( -1.793 0.000 0.713) 1.929 1.951 ( 3.992 0.000 -6.799) 7.885 2.016 ( 2.034 0.000 4.100) 4.577 2.038 ( 3.861 0.000 5.320) 6.573 2.069 ( 8.553 0.000 -4.010) 9.447 2.172 ( -1.555 0.000 7.060) 7.229 2.238 ( 2.798 0.000 -2.532) 3.774 2.402 ( -3.287 0.000 -0.545) 3.332 2.419 ( -3.399 0.000 3.951) 5.212 2.472 ( -3.091 0.000 0.922) 3.226 2.596 ( 3.104 0.000 -6.018) 6.772 2.606 ( -0.398 0.000 -1.846) 1.888 2.713 ( 0.917 0.000 -3.325) 3.449 2.732 ( -0.393 0.000 2.691) 2.720 2.872 ( -0.714 0.000 -4.952) 5.003 2.938 ( -5.063 0.000 -6.021) 7.867 2.940 ( -2.477 0.000 1.517) 2.904 3.127 ( 0.798 0.000 -2.535) 2.658 3.177 ( 2.979 0.000 0.766) 3.076 3.179 ( 2.869 0.000 -3.372) 4.428 3.214 ( -4.425 0.000 1.324) 4.619 3.278 ( -4.279 0.000 -5.763) 7.178 3.337 ( -6.046 0.000 2.863) 6.690 3.340 ( -3.310 0.000 0.810) 3.407 3.476 ( -1.917 0.000 2.572) 3.208 3.489 ( -2.691 0.000 -6.053) 6.625 3.554 ( -0.475 0.000 -0.715) 0.859 3.602 ( 1.820 0.000 -0.597) 1.915 3.620 ( 1.590 0.000 -1.236) 2.014 3.769 ( -2.623 0.000 3.434) 4.321 3.792 ( 2.485 0.000 -1.033) 2.691 3.822 ( -5.527 0.000 1.587) 5.750 3.845 ( -1.202 0.000 -2.328) 2.620 3.883 ( -1.403 0.000 1.876) 2.342 3.984 ( 1.778 0.000 0.667) 1.899 4.020 ( -1.446 0.000 -0.653) 1.587 4.110 ( 0.051 0.000 5.707) 5.707 4.296 ( -0.502 0.000 -6.284) 6.304 4.339 ( -5.748 0.000 -1.011) 5.836 4.342 ( -2.369 0.000 3.449) 4.184 4.523 ( -0.348 0.000 -1.365) 1.409 4.612 ( -1.468 0.000 -4.811) 5.030 4.689 ( 0.402 0.000 2.529) 2.561 4.700 ( -2.986 0.000 -1.298) 3.256 4.788 ( -2.105 0.000 5.169) 5.581 4.826 ( -1.743 0.000 3.761) 4.145 4.902 ( 2.713 0.000 -2.825) 3.917 5.108 ( 2.628 0.000 3.772) 4.597 5.114 ( -2.014 0.000 4.150) 4.613 5.154 ( 2.382 0.000 -3.449) 4.191 5.168 ( 0.436 0.000 -0.239) 0.498 5.287 ( -0.400 0.000 -0.786) 0.882 5.293 ( -0.684 0.000 -0.696) 0.976 5.337 ( -0.543 0.000 -1.606) 1.695 5.471 ( -2.238 0.000 -4.734) 5.237 5.588 ( 3.300 0.000 -0.987) 3.444 5.626 ( -0.995 0.000 0.968) 1.388 5.668 ( -0.577 0.000 2.227) 2.301 5.692 ( -0.655 0.000 6.401) 6.434 5.721 ( 2.191 0.000 -1.477) 2.642 5.773 ( -4.573 0.000 -1.064) 4.695 5.798 ( -0.889 0.000 2.624) 2.771 5.832 ( -2.524 0.000 0.254) 2.537 5.962 ( 1.784 0.000 -0.515) 1.857 6.004 ( 1.988 0.000 -0.541) 2.061 6.004 ( 1.610 0.000 -0.221) 1.625 6.088 ( 2.537 0.000 2.855) 3.819 6.095 ( -2.125 0.000 -1.694) 2.717 6.139 ( 3.736 0.000 -0.335) 3.750 6.215 ( 2.753 0.000 -3.578) 4.515 6.348 ( 9.375 0.000 2.233) 9.637 6.380 ( 6.535 0.000 -1.857) 6.793 6.563 ( -2.973 0.000 1.580) 3.367 6.601 ( -2.924 0.000 0.912) 3.063 6.672 ( -3.649 0.000 6.735) 7.660 6.763 ( -7.110 0.000 -2.491) 7.534 6.889 ( 1.076 0.000 1.564) 1.899 6.933 ( 0.094 0.000 -1.735) 1.738 6.988 ( -0.250 0.000 1.030) 1.060 7.128 ( -0.430 0.000 0.242) 0.494 7.184 ( -1.010 0.000 4.420) 4.534 7.235 ( 0.895 0.000 -5.302) 5.377 7.450 ( -2.949 0.000 -3.211) 4.360 7.479 ( -2.296 0.000 1.844) 2.945 7.710 ( 2.190 0.000 0.202) 2.199 7.744 ( 5.910 0.000 -0.059) 5.910 7.779 ( 3.632 0.000 -0.966) 3.758 7.825 ( 8.727 0.000 -1.007) 8.785 9.163 ( -0.971 0.000 0.160) 0.984 9.188 ( -0.956 0.000 -0.561) 1.108 9.250 ( -1.381 0.000 -0.491) 1.466 9.260 ( 0.952 0.000 -0.402) 1.034 13.029 ( -1.510 0.000 0.418) 1.567 13.043 ( -1.386 0.000 -0.657) 1.533 13.236 ( 0.462 0.000 0.885) 0.998 13.246 ( -0.033 0.000 -0.535) 0.536 14.046 ( -0.566 0.000 -0.496) 0.753 14.093 ( -1.100 0.000 0.212) 1.121 14.180 ( 1.616 0.000 1.459) 2.177 14.217 ( 5.317 0.000 -3.096) 6.153 15.259 ( -2.381 0.000 -0.058) 2.382 15.320 ( 0.183 0.000 -0.715) 0.738 15.429 ( -1.048 0.000 -0.410) 1.125 15.471 ( 2.965 0.000 0.166) 2.970 15.563 ( -1.622 0.000 2.981) 3.394 15.677 ( -0.555 0.000 0.912) 1.068 15.678 ( -0.895 0.000 -2.394) 2.556 15.713 ( -1.223 0.000 -0.193) 1.238 16.262 ( -0.703 0.000 1.881) 2.008 16.450 ( 3.405 0.000 -1.222) 3.617 16.753 ( -1.031 0.000 1.618) 1.918 16.766 ( -2.872 0.000 -2.979) 4.138 17.064 ( -0.431 0.000 2.587) 2.622 17.097 ( -0.358 0.000 0.425) 0.556 17.109 ( -0.543 0.000 -0.288) 0.615 17.133 ( 1.012 0.000 0.916) 1.365 17.649 ( -1.379 0.000 0.439) 1.447 17.711 ( 0.259 0.000 -0.266) 0.371 17.751 ( 0.977 0.000 -0.072) 0.980 17.789 ( 2.441 0.000 -1.604) 2.921 17.904 ( -0.917 0.000 2.225) 2.407 17.987 ( 0.153 0.000 -1.443) 1.451 18.305 ( -2.315 0.000 -0.531) 2.375 18.306 ( -2.655 0.000 0.897) 2.802 18.491 ( -0.056 0.000 2.083) 2.084 18.608 ( 0.609 0.000 -2.240) 2.321 18.747 ( -1.508 0.000 -2.799) 3.179 18.808 ( 1.821 0.000 -0.316) 1.848 19.066 ( -7.139 0.000 3.566) 7.980 19.125 ( 0.258 0.000 0.517) 0.578 19.394 ( -6.367 0.000 10.923) 12.643 19.707 ( -1.064 0.000 -4.172) 4.305 ======================= Grid point 51 (19/56) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 11.213 0.000 12.053) 16.462 0.942 ( 9.000 0.000 3.337) 9.599 1.112 ( -0.359 0.000 1.373) 1.419 1.116 ( -0.787 0.000 -0.881) 1.182 1.159 ( 10.560 0.000 -1.036) 10.610 1.295 ( 2.576 0.000 13.070) 13.321 1.387 ( -0.295 0.000 -5.696) 5.704 1.506 ( -3.193 0.000 -3.176) 4.504 1.640 ( 0.317 0.000 0.213) 0.382 1.739 ( 3.056 0.000 3.160) 4.396 1.743 ( 4.395 0.000 -8.982) 9.999 1.872 ( 5.122 0.000 -1.933) 5.474 1.874 ( 5.793 0.000 2.286) 6.228 1.964 ( 2.474 0.000 -7.655) 8.045 2.040 ( 1.117 0.000 0.332) 1.166 2.088 ( 2.488 0.000 2.783) 3.733 2.158 ( 1.363 0.000 5.764) 5.923 2.223 ( 0.474 0.000 8.855) 8.867 2.277 ( -0.435 0.000 1.526) 1.587 2.380 ( -0.405 0.000 3.770) 3.791 2.386 ( 0.412 0.000 -3.034) 3.062 2.432 ( -1.226 0.000 -1.258) 1.756 2.576 ( -0.497 0.000 -4.055) 4.086 2.610 ( 2.332 0.000 -8.178) 8.504 2.716 ( -2.756 0.000 2.388) 3.647 2.753 ( 3.830 0.000 1.619) 4.158 2.830 ( -0.857 0.000 -1.999) 2.175 2.836 ( -0.627 0.000 -4.546) 4.589 2.880 ( -2.809 0.000 0.966) 2.970 3.091 ( -3.684 0.000 -1.993) 4.188 3.095 ( -8.713 0.000 2.803) 9.152 3.153 ( -3.959 0.000 -6.156) 7.320 3.161 ( -0.885 0.000 -2.724) 2.864 3.228 ( 3.388 0.000 -3.466) 4.847 3.295 ( -2.115 0.000 5.222) 5.634 3.310 ( -0.570 0.000 1.741) 1.832 3.375 ( -2.668 0.000 -11.021) 11.340 3.428 ( -4.147 0.000 1.416) 4.382 3.545 ( 0.084 0.000 2.078) 2.080 3.633 ( 0.783 0.000 -1.357) 1.567 3.656 ( 0.386 0.000 -0.711) 0.809 3.731 ( -1.396 0.000 2.937) 3.251 3.733 ( -1.527 0.000 1.708) 2.291 3.782 ( -2.070 0.000 -1.792) 2.738 3.834 ( 0.566 0.000 -2.358) 2.425 3.883 ( -0.145 0.000 0.664) 0.680 3.998 ( -1.257 0.000 1.925) 2.299 4.000 ( -1.564 0.000 3.829) 4.136 4.147 ( -0.282 0.000 4.647) 4.656 4.234 ( -3.638 0.000 -0.261) 3.648 4.263 ( 1.209 0.000 -5.368) 5.502 4.340 ( 0.113 0.000 3.461) 3.463 4.497 ( -0.180 0.000 -2.153) 2.160 4.522 ( -3.720 0.000 -4.519) 5.853 4.637 ( -2.501 0.000 -0.392) 2.531 4.678 ( -2.954 0.000 0.405) 2.982 4.772 ( -2.846 0.000 7.625) 8.139 4.828 ( 0.045 0.000 2.330) 2.330 4.914 ( 1.321 0.000 -5.498) 5.654 5.108 ( -1.217 0.000 1.820) 2.190 5.147 ( -0.003 0.000 -1.590) 1.590 5.179 ( 0.218 0.000 1.433) 1.450 5.207 ( 1.793 0.000 5.847) 6.115 5.256 ( -0.337 0.000 -3.445) 3.462 5.291 ( 0.088 0.000 -0.025) 0.091 5.325 ( 0.615 0.000 -1.065) 1.230 5.441 ( 1.746 0.000 -3.578) 3.982 5.629 ( 3.249 0.000 -1.696) 3.665 5.638 ( 1.124 0.000 1.167) 1.620 5.668 ( -2.229 0.000 1.265) 2.562 5.695 ( -2.094 0.000 3.927) 4.450 5.717 ( -0.481 0.000 -2.017) 2.073 5.751 ( -3.889 0.000 0.678) 3.948 5.795 ( 5.075 0.000 -0.288) 5.083 5.838 ( 1.400 0.000 3.535) 3.802 5.979 ( -0.421 0.000 -1.294) 1.361 6.008 ( -2.519 0.000 0.109) 2.522 6.012 ( -0.367 0.000 -0.474) 0.600 6.071 ( 2.370 0.000 0.652) 2.459 6.124 ( 0.137 0.000 0.713) 0.726 6.236 ( 4.897 0.000 0.332) 4.908 6.260 ( 3.804 0.000 -4.091) 5.586 6.485 ( 0.693 0.000 0.178) 0.715 6.502 ( 0.614 0.000 -0.908) 1.096 6.523 ( 3.330 0.000 -2.214) 3.998 6.565 ( 2.774 0.000 1.485) 3.147 6.633 ( -4.460 0.000 5.472) 7.059 6.667 ( -1.320 0.000 0.003) 1.320 6.876 ( -3.588 0.000 1.383) 3.845 6.884 ( -4.245 0.000 -1.242) 4.423 6.971 ( -2.011 0.000 3.817) 4.314 7.059 ( -2.189 0.000 -2.149) 3.068 7.244 ( 3.837 0.000 1.985) 4.320 7.326 ( 6.766 0.000 -2.981) 7.394 7.387 ( -1.135 0.000 -2.342) 2.602 7.440 ( -2.036 0.000 0.829) 2.198 7.739 ( 0.316 0.000 0.365) 0.483 7.809 ( 0.589 0.000 -0.442) 0.736 7.896 ( 7.214 0.000 0.199) 7.217 7.971 ( 6.135 0.000 -0.688) 6.174 9.143 ( -0.998 0.000 0.319) 1.048 9.156 ( -1.522 0.000 -0.703) 1.676 9.225 ( -1.164 0.000 0.470) 1.255 9.253 ( -0.997 0.000 -0.519) 1.124 13.001 ( -1.366 0.000 0.523) 1.463 13.019 ( -0.554 0.000 -0.537) 0.771 13.244 ( 0.076 0.000 -0.433) 0.439 13.244 ( -0.092 0.000 0.383) 0.394 14.045 ( 0.652 0.000 -0.709) 0.963 14.075 ( -0.635 0.000 -0.353) 0.726 14.213 ( 0.406 0.000 2.327) 2.362 14.289 ( 3.775 0.000 -2.318) 4.430 15.222 ( -1.333 0.000 0.470) 1.413 15.315 ( -0.018 0.000 -1.325) 1.326 15.415 ( -0.163 0.000 0.354) 0.389 15.533 ( 3.352 0.000 -0.430) 3.379 15.546 ( -1.927 0.000 2.855) 3.444 15.633 ( -1.926 0.000 -2.926) 3.503 15.671 ( -0.423 0.000 0.322) 0.531 15.682 ( -1.569 0.000 -0.144) 1.575 16.275 ( 0.564 0.000 2.383) 2.449 16.511 ( 3.136 0.000 -2.626) 4.090 16.703 ( -1.713 0.000 -0.613) 1.819 16.733 ( -2.217 0.000 2.516) 3.354 17.080 ( 0.582 0.000 1.107) 1.251 17.088 ( -0.666 0.000 0.011) 0.666 17.097 ( -0.206 0.000 -0.662) 0.693 17.148 ( 0.005 0.000 0.094) 0.094 17.634 ( -0.425 0.000 0.534) 0.682 17.714 ( 0.627 0.000 -1.595) 1.714 17.771 ( 0.909 0.000 0.394) 0.991 17.819 ( 0.918 0.000 0.324) 0.973 17.901 ( -0.559 0.000 1.827) 1.911 17.982 ( 0.310 0.000 -1.602) 1.632 18.248 ( -3.170 0.000 0.336) 3.187 18.260 ( -1.677 0.000 -0.567) 1.771 18.496 ( -0.402 0.000 0.964) 1.044 18.619 ( 1.336 0.000 -1.818) 2.256 18.693 ( -1.810 0.000 -2.027) 2.718 18.836 ( 1.153 0.000 -0.525) 1.267 18.996 ( -3.410 0.000 4.976) 6.032 19.122 ( -0.461 0.000 -0.924) 1.032 19.362 ( -3.593 0.000 8.211) 8.963 19.655 ( -0.542 0.000 -5.291) 5.318 ======================= Grid point 52 (20/56) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -12.686 0.000 5.448) 13.806 0.985 ( -12.397 0.000 4.192) 13.087 1.109 ( 5.689 0.000 8.096) 9.894 1.148 ( 5.903 0.000 2.530) 6.422 1.277 ( 0.358 0.000 -7.138) 7.147 1.386 ( 0.036 0.000 6.897) 6.897 1.426 ( 5.009 0.000 -3.504) 6.113 1.491 ( 4.813 0.000 1.880) 5.167 1.669 ( 3.388 0.000 1.628) 3.759 1.672 ( -4.726 0.000 -8.643) 9.851 1.771 ( -0.082 0.000 -0.300) 0.311 1.876 ( -1.267 0.000 1.686) 2.109 1.916 ( 1.549 0.000 -3.162) 3.521 1.954 ( 0.813 0.000 -7.471) 7.515 2.096 ( -4.068 0.000 3.700) 5.500 2.104 ( -7.079 0.000 2.296) 7.442 2.209 ( -1.785 0.000 3.906) 4.295 2.261 ( -0.995 0.000 7.587) 7.652 2.282 ( -0.577 0.000 2.712) 2.772 2.353 ( -5.476 0.000 -2.258) 5.923 2.402 ( 0.151 0.000 -0.046) 0.158 2.419 ( 8.733 0.000 -0.577) 8.752 2.571 ( 3.053 0.000 -5.585) 6.365 2.645 ( 3.512 0.000 -5.166) 6.247 2.678 ( -0.664 0.000 1.263) 1.427 2.793 ( 2.490 0.000 -0.946) 2.664 2.844 ( 2.259 0.000 2.846) 3.634 2.901 ( 2.238 0.000 1.049) 2.471 2.907 ( 5.587 0.000 -1.077) 5.690 2.940 ( -6.552 0.000 2.829) 7.137 2.981 ( -2.966 0.000 -3.388) 4.503 3.080 ( -0.198 0.000 -1.503) 1.516 3.149 ( 1.112 0.000 -3.121) 3.313 3.257 ( 1.929 0.000 -3.584) 4.070 3.284 ( -2.293 0.000 0.054) 2.294 3.292 ( 1.230 0.000 -6.300) 6.419 3.344 ( 4.421 0.000 -0.283) 4.430 3.352 ( -2.716 0.000 -1.601) 3.153 3.590 ( 2.479 0.000 1.546) 2.922 3.606 ( -1.078 0.000 -3.014) 3.201 3.637 ( -0.504 0.000 3.514) 3.550 3.727 ( -1.993 0.000 0.723) 2.120 3.759 ( 0.529 0.000 2.360) 2.419 3.771 ( 2.208 0.000 1.379) 2.603 3.841 ( 2.029 0.000 -3.712) 4.231 3.866 ( -1.308 0.000 -2.585) 2.897 3.974 ( -2.292 0.000 3.218) 3.951 3.992 ( -1.920 0.000 5.922) 6.226 4.116 ( -3.251 0.000 0.598) 3.305 4.242 ( 2.407 0.000 3.031) 3.871 4.274 ( 1.985 0.000 -3.357) 3.900 4.369 ( 1.686 0.000 -0.983) 1.951 4.438 ( -2.680 0.000 -1.237) 2.952 4.527 ( 4.099 0.000 0.311) 4.111 4.595 ( -1.507 0.000 -1.207) 1.930 4.629 ( -0.438 0.000 -1.644) 1.701 4.773 ( -1.454 0.000 5.505) 5.694 4.851 ( 0.066 0.000 4.771) 4.772 4.906 ( 1.731 0.000 -5.688) 5.946 5.080 ( -2.053 0.000 1.141) 2.349 5.113 ( -1.961 0.000 -2.212) 2.957 5.200 ( 0.553 0.000 2.269) 2.335 5.217 ( -0.643 0.000 -0.665) 0.925 5.259 ( -1.222 0.000 -0.311) 1.261 5.302 ( 1.900 0.000 0.348) 1.931 5.342 ( 0.986 0.000 0.013) 0.986 5.491 ( 3.741 0.000 1.150) 3.914 5.632 ( -2.314 0.000 -1.107) 2.565 5.635 ( -3.452 0.000 0.272) 3.462 5.671 ( 0.057 0.000 0.932) 0.933 5.676 ( -0.994 0.000 -1.109) 1.489 5.700 ( 3.976 0.000 -1.878) 4.397 5.712 ( -1.297 0.000 2.961) 3.233 5.875 ( 2.987 0.000 -3.192) 4.371 5.895 ( 1.568 0.000 3.560) 3.890 5.913 ( -3.531 0.000 1.619) 3.884 5.995 ( -1.303 0.000 0.333) 1.345 6.001 ( 0.497 0.000 -0.024) 0.498 6.112 ( -1.191 0.000 -0.669) 1.366 6.115 ( 0.355 0.000 1.517) 1.558 6.276 ( -0.785 0.000 -1.701) 1.874 6.296 ( 1.920 0.000 -3.408) 3.911 6.458 ( -2.329 0.000 -1.136) 2.591 6.477 ( 0.391 0.000 -1.980) 2.018 6.602 ( -0.827 0.000 3.403) 3.502 6.606 ( 4.038 0.000 1.867) 4.449 6.607 ( 0.310 0.000 2.419) 2.438 6.683 ( -1.899 0.000 -0.215) 1.911 6.822 ( -1.802 0.000 0.791) 1.968 6.836 ( 3.081 0.000 0.443) 3.113 6.935 ( -3.375 0.000 1.644) 3.755 7.033 ( 0.415 0.000 -2.201) 2.240 7.292 ( -0.963 0.000 1.234) 1.565 7.378 ( 0.230 0.000 -2.168) 2.180 7.393 ( 2.150 0.000 -0.138) 2.155 7.417 ( -1.649 0.000 -1.155) 2.013 7.741 ( 0.270 0.000 0.785) 0.830 7.799 ( -0.464 0.000 -1.237) 1.322 7.984 ( 0.607 0.000 1.213) 1.356 8.032 ( 0.081 0.000 -0.676) 0.681 9.131 ( -0.352 0.000 0.027) 0.353 9.140 ( 0.493 0.000 -0.368) 0.615 9.214 ( -0.068 0.000 0.621) 0.625 9.240 ( 0.564 0.000 -0.346) 0.662 12.989 ( -0.207 0.000 0.584) 0.620 13.017 ( 0.644 0.000 -0.346) 0.732 13.238 ( -0.533 0.000 -0.059) 0.536 13.245 ( 0.291 0.000 -0.218) 0.364 14.058 ( 0.988 0.000 -0.528) 1.120 14.065 ( -0.082 0.000 -0.741) 0.746 14.220 ( -1.377 0.000 2.521) 2.872 14.333 ( 1.864 0.000 -1.618) 2.468 15.216 ( 0.219 0.000 1.117) 1.138 15.305 ( 0.247 0.000 -2.366) 2.379 15.427 ( 0.542 0.000 1.961) 2.034 15.526 ( -1.598 0.000 2.099) 2.638 15.570 ( -2.310 0.000 -3.363) 4.080 15.594 ( 3.093 0.000 -0.609) 3.152 15.662 ( -0.196 0.000 -0.138) 0.240 15.665 ( -0.245 0.000 -0.104) 0.266 16.306 ( 0.461 0.000 3.503) 3.533 16.504 ( -1.141 0.000 -4.759) 4.894 16.707 ( -1.551 0.000 1.848) 2.412 16.725 ( 3.124 0.000 2.153) 3.794 17.071 ( -0.937 0.000 -0.018) 0.937 17.095 ( 0.448 0.000 -0.640) 0.781 17.096 ( 0.396 0.000 0.620) 0.736 17.135 ( -0.865 0.000 -0.935) 1.273 17.638 ( 0.365 0.000 0.930) 0.999 17.714 ( 0.681 0.000 -2.497) 2.588 17.786 ( -0.089 0.000 1.150) 1.153 17.828 ( -0.471 0.000 1.671) 1.736 17.905 ( -0.052 0.000 0.810) 0.812 17.980 ( 0.554 0.000 -1.566) 1.661 18.198 ( -1.896 0.000 -0.297) 1.919 18.242 ( 0.338 0.000 -0.561) 0.655 18.492 ( -0.407 0.000 0.658) 0.774 18.606 ( -0.377 0.000 -4.964) 4.978 18.684 ( 0.415 0.000 3.153) 3.180 18.840 ( -0.311 0.000 -1.435) 1.468 18.975 ( -1.912 0.000 4.390) 4.788 19.100 ( -0.435 0.000 -2.373) 2.412 19.346 ( -2.896 0.000 6.722) 7.319 19.638 ( 2.047 0.000 -4.859) 5.272 ======================= Grid point 53 (21/56) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -17.070 0.000 5.928) 18.070 0.718 ( -14.856 0.000 11.626) 18.864 1.124 ( -14.448 0.000 9.699) 17.401 1.169 ( -0.395 0.000 0.830) 0.919 1.284 ( -0.264 0.000 7.094) 7.099 1.379 ( -4.151 0.000 -1.016) 4.274 1.475 ( 2.808 0.000 -5.257) 5.960 1.526 ( 0.439 0.000 -3.727) 3.752 1.566 ( 1.072 0.000 -5.337) 5.444 1.709 ( -7.427 0.000 -3.759) 8.324 1.752 ( -2.413 0.000 0.533) 2.471 1.847 ( -3.416 0.000 -4.387) 5.560 1.866 ( 0.713 0.000 -1.805) 1.941 1.934 ( -8.548 0.000 3.859) 9.379 1.965 ( 1.387 0.000 -1.657) 2.161 1.997 ( -3.457 0.000 1.430) 3.741 2.145 ( -5.425 0.000 3.731) 6.584 2.263 ( -2.561 0.000 0.648) 2.642 2.312 ( 2.976 0.000 4.615) 5.491 2.313 ( 1.793 0.000 5.128) 5.433 2.402 ( 0.600 0.000 -1.275) 1.409 2.509 ( -0.572 0.000 -1.027) 1.175 2.611 ( 3.395 0.000 -4.170) 5.377 2.635 ( -0.241 0.000 -4.399) 4.405 2.705 ( -0.140 0.000 1.784) 1.789 2.815 ( -0.939 0.000 -1.544) 1.807 2.841 ( -1.715 0.000 -1.729) 2.435 2.900 ( 5.556 0.000 -4.094) 6.902 2.929 ( 2.799 0.000 2.307) 3.627 3.018 ( 3.262 0.000 -0.405) 3.287 3.057 ( 6.185 0.000 -4.999) 7.953 3.097 ( 1.245 0.000 -0.609) 1.386 3.171 ( 4.429 0.000 -2.887) 5.287 3.255 ( -1.020 0.000 4.219) 4.341 3.283 ( 4.837 0.000 -6.303) 7.945 3.339 ( 3.120 0.000 -2.787) 4.184 3.357 ( 5.201 0.000 1.730) 5.482 3.441 ( 6.010 0.000 -1.631) 6.227 3.583 ( 0.129 0.000 -0.223) 0.258 3.616 ( 0.765 0.000 0.523) 0.927 3.693 ( -2.021 0.000 0.140) 2.026 3.729 ( 4.955 0.000 5.439) 7.357 3.769 ( -0.719 0.000 2.312) 2.422 3.779 ( -2.049 0.000 -4.713) 5.139 3.837 ( -0.351 0.000 -4.160) 4.175 3.843 ( 1.839 0.000 -0.152) 1.845 3.968 ( 0.127 0.000 2.547) 2.550 4.015 ( 0.424 0.000 5.365) 5.382 4.063 ( -2.256 0.000 0.425) 2.296 4.275 ( -0.542 0.000 -0.688) 0.876 4.328 ( 3.996 0.000 3.792) 5.509 4.390 ( 1.862 0.000 -5.559) 5.862 4.423 ( 2.423 0.000 0.419) 2.459 4.560 ( -0.726 0.000 -3.081) 3.165 4.645 ( 2.269 0.000 -1.608) 2.781 4.646 ( 6.567 0.000 1.545) 6.746 4.778 ( -0.171 0.000 1.810) 1.818 4.886 ( -0.821 0.000 7.712) 7.756 4.911 ( 1.517 0.000 -3.963) 4.243 5.052 ( -2.837 0.000 -1.503) 3.210 5.066 ( -0.623 0.000 4.115) 4.162 5.207 ( -0.400 0.000 -5.022) 5.038 5.218 ( -0.142 0.000 1.914) 1.919 5.218 ( -0.533 0.000 0.839) 0.994 5.333 ( 0.990 0.000 -0.542) 1.129 5.355 ( 0.084 0.000 0.495) 0.502 5.539 ( -3.425 0.000 -5.973) 6.885 5.568 ( -1.435 0.000 1.704) 2.227 5.578 ( 1.625 0.000 1.833) 2.449 5.668 ( -0.464 0.000 -0.338) 0.574 5.672 ( -1.497 0.000 3.690) 3.982 5.728 ( 1.812 0.000 0.209) 1.824 5.774 ( 3.569 0.000 -0.140) 3.572 5.815 ( -3.307 0.000 0.268) 3.318 5.915 ( -2.410 0.000 3.895) 4.580 5.940 ( 2.027 0.000 -0.776) 2.171 5.978 ( 0.273 0.000 -0.853) 0.896 6.016 ( 0.999 0.000 -1.210) 1.569 6.071 ( -2.949 0.000 0.057) 2.950 6.108 ( -1.219 0.000 1.597) 2.009 6.210 ( -3.403 0.000 -2.207) 4.056 6.290 ( -0.816 0.000 -1.955) 2.119 6.422 ( -0.539 0.000 0.411) 0.678 6.476 ( -1.512 0.000 -0.080) 1.514 6.544 ( -4.505 0.000 -1.770) 4.840 6.619 ( -4.637 0.000 0.860) 4.716 6.629 ( 0.589 0.000 2.792) 2.854 6.715 ( 4.877 0.000 1.764) 5.186 6.855 ( 3.136 0.000 0.168) 3.141 6.896 ( 1.385 0.000 1.815) 2.283 6.954 ( 6.573 0.000 0.288) 6.580 7.047 ( 1.971 0.000 0.336) 1.999 7.220 ( -6.771 0.000 1.099) 6.859 7.315 ( -5.690 0.000 -1.832) 5.978 7.368 ( 0.023 0.000 -2.157) 2.157 7.446 ( 3.206 0.000 0.457) 3.239 7.756 ( -0.277 0.000 1.193) 1.225 7.782 ( -0.955 0.000 -1.291) 1.606 7.934 ( -5.910 0.000 1.230) 6.036 7.956 ( -7.007 0.000 -1.718) 7.214 9.136 ( 0.996 0.000 -0.007) 0.996 9.163 ( 1.672 0.000 -0.375) 1.713 9.234 ( 1.575 0.000 0.550) 1.669 9.271 ( 2.458 0.000 -0.832) 2.595 13.000 ( 0.947 0.000 0.357) 1.012 13.036 ( 1.389 0.000 -0.494) 1.474 13.226 ( -0.640 0.000 0.020) 0.640 13.251 ( 0.366 0.000 -0.022) 0.366 14.063 ( 0.535 0.000 -1.212) 1.325 14.075 ( 0.983 0.000 -0.029) 0.983 14.191 ( -2.827 0.000 1.791) 3.346 14.338 ( -0.298 0.000 -2.324) 2.344 15.241 ( 1.467 0.000 1.397) 2.026 15.297 ( 0.589 0.000 -2.933) 2.992 15.449 ( -0.154 0.000 2.683) 2.687 15.502 ( -2.631 0.000 -2.593) 3.694 15.518 ( -0.206 0.000 1.929) 1.940 15.646 ( 2.630 0.000 -1.033) 2.825 15.662 ( 0.004 0.000 -0.091) 0.091 15.674 ( 1.504 0.000 -0.393) 1.554 16.323 ( -1.288 0.000 4.153) 4.348 16.447 ( -1.338 0.000 -4.011) 4.228 16.705 ( 0.683 0.000 0.427) 0.806 16.813 ( 3.938 0.000 1.450) 4.196 17.060 ( -0.218 0.000 1.167) 1.187 17.103 ( 0.324 0.000 -0.350) 0.477 17.105 ( 0.129 0.000 1.109) 1.116 17.111 ( -0.577 0.000 -1.040) 1.189 17.657 ( 0.784 0.000 1.227) 1.456 17.709 ( 0.344 0.000 -2.262) 2.288 17.777 ( -1.511 0.000 1.130) 1.887 17.821 ( -0.992 0.000 -0.566) 1.142 17.899 ( -0.793 0.000 -0.286) 0.843 17.984 ( 0.695 0.000 -1.400) 1.563 18.176 ( -0.493 0.000 1.631) 1.703 18.265 ( 2.216 0.000 -0.417) 2.255 18.490 ( -0.472 0.000 1.554) 1.624 18.574 ( 0.378 0.000 -3.749) 3.768 18.719 ( 0.179 0.000 5.180) 5.183 18.808 ( -1.343 0.000 -2.704) 3.019 18.979 ( -0.391 0.000 5.349) 5.363 19.087 ( 0.535 0.000 -1.793) 1.871 19.334 ( -2.299 0.000 6.300) 6.706 19.666 ( 3.410 0.000 -4.384) 5.554 ======================= Grid point 54 (22/56) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( -13.459 0.000 12.790) 18.567 0.502 ( -17.057 0.000 10.919) 20.252 0.854 ( -18.536 0.000 29.762) 35.062 1.165 ( -1.587 0.000 -5.110) 5.351 1.235 ( -4.514 0.000 -12.715) 13.492 1.306 ( -3.584 0.000 8.371) 9.106 1.347 ( -12.753 0.000 0.899) 12.785 1.475 ( 0.524 0.000 -6.550) 6.571 1.573 ( 2.421 0.000 -2.654) 3.593 1.588 ( -1.379 0.000 3.532) 3.791 1.699 ( 0.824 0.000 -4.108) 4.190 1.790 ( -2.353 0.000 -3.870) 4.529 1.827 ( -3.449 0.000 -7.182) 7.967 1.876 ( -2.234 0.000 6.080) 6.478 1.921 ( -0.315 0.000 -4.520) 4.531 1.984 ( -3.450 0.000 2.993) 4.568 2.044 ( -7.796 0.000 0.313) 7.802 2.234 ( 0.731 0.000 -2.725) 2.821 2.304 ( -6.973 0.000 3.673) 7.882 2.404 ( 1.277 0.000 0.487) 1.367 2.433 ( 3.024 0.000 3.236) 4.429 2.488 ( 0.729 0.000 2.022) 2.149 2.613 ( 1.205 0.000 -4.628) 4.782 2.628 ( 0.628 0.000 -1.136) 1.298 2.687 ( -1.607 0.000 -0.134) 1.612 2.789 ( -1.864 0.000 -2.152) 2.847 2.858 ( 5.353 0.000 -4.223) 6.818 2.974 ( 1.220 0.000 0.811) 1.465 3.003 ( -1.129 0.000 -2.171) 2.447 3.012 ( 6.367 0.000 -4.128) 7.588 3.097 ( 2.194 0.000 -5.335) 5.769 3.124 ( 2.301 0.000 -1.160) 2.577 3.261 ( 2.876 0.000 -0.394) 2.903 3.307 ( 3.599 0.000 4.069) 5.433 3.339 ( 2.692 0.000 -2.003) 3.356 3.411 ( 4.159 0.000 -0.873) 4.249 3.433 ( 2.429 0.000 -5.083) 5.633 3.571 ( 7.654 0.000 0.041) 7.654 3.600 ( -1.300 0.000 2.160) 2.521 3.630 ( -0.245 0.000 1.005) 1.034 3.649 ( -1.298 0.000 -0.065) 1.299 3.712 ( -0.443 0.000 -4.320) 4.343 3.720 ( -5.353 0.000 1.279) 5.503 3.823 ( 1.076 0.000 -0.220) 1.099 3.855 ( 4.078 0.000 2.153) 4.612 3.890 ( 2.337 0.000 1.105) 2.585 3.992 ( 0.709 0.000 -0.113) 0.718 4.033 ( -0.303 0.000 -0.793) 0.849 4.061 ( 0.461 0.000 3.881) 3.908 4.266 ( 0.852 0.000 -0.413) 0.947 4.397 ( 1.127 0.000 -3.100) 3.299 4.434 ( 3.995 0.000 3.714) 5.454 4.499 ( 5.388 0.000 -1.494) 5.592 4.523 ( -1.256 0.000 -3.453) 3.674 4.673 ( 1.195 0.000 -0.789) 1.431 4.744 ( 1.788 0.000 -0.554) 1.872 4.788 ( -0.240 0.000 1.415) 1.435 4.895 ( -3.290 0.000 7.062) 7.791 4.907 ( -0.487 0.000 -1.496) 1.573 5.006 ( -0.559 0.000 0.708) 0.902 5.115 ( 2.384 0.000 5.677) 6.157 5.162 ( 0.125 0.000 -5.395) 5.396 5.213 ( -1.655 0.000 1.625) 2.319 5.245 ( 1.996 0.000 0.272) 2.014 5.335 ( 0.199 0.000 -2.185) 2.194 5.338 ( -1.654 0.000 -0.411) 1.705 5.480 ( 1.629 0.000 -5.897) 6.118 5.560 ( 1.137 0.000 1.591) 1.955 5.618 ( 0.453 0.000 1.959) 2.011 5.647 ( -0.408 0.000 0.217) 0.462 5.664 ( -2.426 0.000 2.877) 3.763 5.769 ( 2.282 0.000 -0.800) 2.419 5.773 ( -1.396 0.000 1.393) 1.972 5.842 ( 2.563 0.000 -1.025) 2.760 5.879 ( -2.536 0.000 3.731) 4.512 5.964 ( 0.789 0.000 -0.037) 0.790 5.975 ( -0.091 0.000 -1.191) 1.195 6.005 ( -1.155 0.000 -1.760) 2.106 6.017 ( -2.846 0.000 2.811) 4.001 6.101 ( 0.129 0.000 -0.477) 0.494 6.150 ( -1.417 0.000 -2.709) 3.057 6.250 ( -1.962 0.000 -1.484) 2.460 6.354 ( -7.830 0.000 -0.975) 7.890 6.413 ( -4.263 0.000 1.479) 4.512 6.495 ( -3.163 0.000 2.773) 4.207 6.542 ( 3.050 0.000 -0.695) 3.128 6.688 ( 2.944 0.000 1.640) 3.369 6.820 ( 3.768 0.000 2.601) 4.578 6.853 ( -0.832 0.000 1.253) 1.504 7.034 ( 2.122 0.000 -3.567) 4.150 7.045 ( 7.914 0.000 2.098) 8.188 7.075 ( -7.354 0.000 0.390) 7.365 7.119 ( 3.519 0.000 1.000) 3.658 7.271 ( 3.815 0.000 3.173) 4.962 7.366 ( 0.855 0.000 -2.944) 3.066 7.514 ( 2.900 0.000 0.143) 2.903 7.725 ( -3.948 0.000 0.815) 4.031 7.729 ( -3.627 0.000 -0.674) 3.689 7.765 ( -9.358 0.000 -1.888) 9.546 7.810 ( -6.165 0.000 0.351) 6.175 9.164 ( 1.402 0.000 0.376) 1.452 9.189 ( 1.170 0.000 -0.641) 1.334 9.267 ( 1.218 0.000 0.093) 1.221 9.289 ( -0.619 0.000 -3.537) 3.590 13.025 ( 1.302 0.000 0.186) 1.315 13.058 ( 1.151 0.000 -0.825) 1.416 13.219 ( -0.190 0.000 0.612) 0.641 13.256 ( 0.028 0.000 -0.068) 0.074 14.070 ( 1.009 0.000 -1.602) 1.893 14.095 ( 0.478 0.000 1.173) 1.267 14.140 ( -2.462 0.000 0.071) 2.463 14.275 ( -4.481 0.000 -4.822) 6.583 15.283 ( 1.745 0.000 1.077) 2.050 15.295 ( 1.093 0.000 -2.034) 2.309 15.442 ( -2.019 0.000 -1.431) 2.475 15.450 ( -0.731 0.000 1.565) 1.727 15.544 ( 0.820 0.000 3.350) 3.449 15.667 ( 0.369 0.000 0.732) 0.820 15.681 ( 1.745 0.000 -1.365) 2.216 15.705 ( 1.697 0.000 -0.565) 1.789 16.307 ( -2.559 0.000 3.536) 4.365 16.416 ( 0.602 0.000 -3.513) 3.564 16.731 ( 1.578 0.000 -0.283) 1.603 16.866 ( 1.103 0.000 -1.709) 2.034 17.084 ( 1.059 0.000 0.762) 1.304 17.093 ( -0.241 0.000 0.147) 0.283 17.116 ( 0.591 0.000 -0.484) 0.764 17.128 ( 1.432 0.000 2.337) 2.741 17.679 ( 0.460 0.000 1.438) 1.510 17.704 ( 0.356 0.000 -1.279) 1.328 17.747 ( -1.655 0.000 0.273) 1.678 17.758 ( -3.448 0.000 -3.583) 4.973 17.889 ( -0.270 0.000 1.872) 1.891 17.989 ( 0.635 0.000 -1.255) 1.406 18.220 ( 3.231 0.000 5.402) 6.294 18.312 ( 2.369 0.000 -0.056) 2.369 18.488 ( -1.126 0.000 2.248) 2.515 18.588 ( 2.741 0.000 -1.475) 3.113 18.750 ( -0.065 0.000 4.675) 4.676 18.773 ( -0.254 0.000 -2.218) 2.232 19.072 ( 7.288 0.000 8.842) 11.458 19.095 ( 0.943 0.000 -0.733) 1.194 19.350 ( 0.314 0.000 10.182) 10.187 19.706 ( 3.113 0.000 -3.973) 5.047 ======================= Grid point 55 (23/56) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( -0.079 14.067 10.990) 17.852 0.665 ( 0.139 16.244 13.568) 21.166 1.029 ( -3.057 9.383 -0.892) 9.909 1.048 ( -3.759 12.525 15.999) 20.664 1.195 ( -1.449 8.691 -9.135) 12.692 1.353 ( 3.972 4.196 5.744) 8.147 1.417 ( -1.865 7.142 1.397) 7.512 1.545 ( 6.120 5.183 -1.077) 8.092 1.593 ( -6.659 2.671 -0.966) 7.239 1.685 ( -1.283 4.059 -1.014) 4.376 1.702 ( 3.218 3.104 -0.999) 4.581 1.755 ( 0.361 5.628 -0.875) 5.707 1.809 ( 4.019 0.556 2.412) 4.720 1.844 ( -0.201 -0.275 -4.836) 4.848 1.910 ( 3.055 2.616 4.216) 5.827 1.992 ( -1.025 1.851 1.276) 2.471 2.094 ( -0.841 9.960 2.304) 10.258 2.216 ( -3.188 2.078 5.010) 6.291 2.301 ( 0.709 3.345 -3.104) 4.618 2.407 ( 1.709 -2.538 -2.544) 3.979 2.453 ( -1.800 0.725 2.513) 3.175 2.534 ( 1.354 1.503 2.141) 2.946 2.622 ( -2.397 1.520 -0.619) 2.905 2.647 ( -0.295 0.589 1.080) 1.265 2.726 ( 0.280 2.326 2.469) 3.404 2.784 ( -1.607 5.658 -6.919) 9.081 2.888 ( 1.631 -1.071 -6.120) 6.424 2.942 ( 3.509 -6.155 4.167) 8.219 3.064 ( -0.665 7.468 -0.691) 7.529 3.083 ( 2.201 2.923 -7.868) 8.677 3.122 ( 0.309 -1.330 -2.483) 2.833 3.210 ( 1.798 -0.582 -4.309) 4.706 3.269 ( 0.338 2.201 -0.987) 2.435 3.361 ( 0.777 -0.128 2.117) 2.259 3.381 ( 0.135 -1.959 2.936) 3.532 3.405 ( -4.046 -0.412 -2.531) 4.790 3.442 ( 0.186 -0.647 0.207) 0.704 3.491 ( 1.172 -1.438 -3.178) 3.680 3.570 ( -3.473 -1.789 -1.343) 4.131 3.628 ( 0.603 1.211 -3.179) 3.454 3.678 ( 1.778 -0.629 0.368) 1.921 3.687 ( -0.814 3.263 -0.420) 3.389 3.766 ( 1.366 0.712 2.905) 3.288 3.886 ( -4.376 -1.979 1.714) 5.100 3.920 ( 1.815 0.678 1.144) 2.250 3.928 ( 1.636 3.031 0.849) 3.548 4.001 ( 0.114 2.505 -2.475) 3.523 4.037 ( -0.188 -0.039 -2.332) 2.339 4.104 ( -0.293 1.769 -0.507) 1.864 4.259 ( 0.694 -4.591 -4.489) 6.458 4.274 ( -0.387 -6.344 2.285) 6.754 4.365 ( -1.490 -5.498 -0.525) 5.721 4.546 ( 3.091 -0.325 0.625) 3.170 4.609 ( 0.102 1.636 0.725) 1.792 4.688 ( 0.828 1.996 0.290) 2.180 4.700 ( -2.807 -2.421 -0.344) 3.722 4.794 ( -1.715 1.113 1.070) 2.308 4.922 ( 0.645 3.593 -2.604) 4.484 4.947 ( -1.230 4.328 1.702) 4.810 5.056 ( 2.653 1.190 0.641) 2.978 5.099 ( -0.505 -2.261 4.166) 4.767 5.160 ( -1.744 -1.301 -0.210) 2.186 5.185 ( -0.122 2.238 -2.180) 3.127 5.278 ( 1.027 -0.032 -0.147) 1.038 5.295 ( -0.911 -1.269 -0.857) 1.782 5.340 ( 0.915 -0.080 -1.051) 1.396 5.494 ( 0.382 -1.886 0.595) 2.014 5.580 ( 0.262 -0.321 -0.603) 0.732 5.590 ( 1.372 -1.272 1.543) 2.425 5.636 ( -0.410 -0.224 2.927) 2.964 5.667 ( 0.467 -2.403 -1.277) 2.761 5.721 ( -1.889 -0.861 1.157) 2.377 5.781 ( 0.871 -0.808 0.790) 1.427 5.819 ( -1.293 -3.058 -0.353) 3.339 5.899 ( 0.643 -3.199 -0.885) 3.381 5.909 ( -1.801 1.097 -1.106) 2.381 5.938 ( 0.171 -2.452 -0.108) 2.461 5.982 ( 0.735 -1.171 -0.641) 1.524 6.057 ( -2.260 2.035 1.943) 3.609 6.078 ( 0.132 0.840 1.103) 1.393 6.158 ( 2.565 2.106 -2.160) 3.960 6.221 ( -0.992 0.615 -1.860) 2.196 6.265 ( 0.424 4.026 1.875) 4.462 6.396 ( -0.359 3.462 -3.610) 5.015 6.517 ( 1.428 -1.278 6.901) 7.163 6.611 ( 0.108 0.046 1.337) 1.342 6.691 ( -1.077 -2.174 1.411) 2.806 6.835 ( -2.675 -5.278 0.987) 5.999 6.853 ( -0.237 -0.429 0.595) 0.771 6.931 ( 2.179 0.518 -2.237) 3.165 7.023 ( -1.689 -0.870 0.844) 2.079 7.054 ( 1.282 -0.080 -1.767) 2.185 7.193 ( -0.646 0.524 2.260) 2.408 7.305 ( -3.001 -0.923 -1.323) 3.407 7.412 ( 4.455 -2.713 1.058) 5.322 7.470 ( -0.147 -4.894 -1.532) 5.130 7.664 ( -3.034 0.335 1.272) 3.307 7.690 ( 1.950 1.485 0.234) 2.462 7.740 ( 0.781 0.760 0.034) 1.091 7.815 ( 0.606 3.245 -4.887) 5.897 9.166 ( 0.452 -0.619 0.332) 0.835 9.199 ( -2.103 -0.636 -0.904) 2.376 9.241 ( 2.301 1.166 0.767) 2.691 9.280 ( -1.029 0.496 -0.608) 1.294 13.031 ( -0.042 -0.991 0.285) 1.032 13.054 ( 0.021 -1.036 -0.747) 1.277 13.214 ( 0.250 -0.466 0.785) 0.946 13.243 ( -0.202 -0.792 -0.403) 0.911 14.069 ( -2.098 -0.422 0.505) 2.199 14.094 ( 2.284 -0.229 -0.406) 2.331 14.131 ( 1.738 -0.783 0.218) 1.919 14.148 ( -2.017 -1.057 -0.423) 2.316 15.307 ( -1.482 0.647 -0.289) 1.643 15.315 ( 1.300 0.251 -1.378) 1.911 15.398 ( 0.450 -1.826 0.489) 1.943 15.421 ( 0.051 -1.176 -0.621) 1.331 15.552 ( -0.299 -1.538 3.182) 3.546 15.650 ( 0.510 -1.844 -0.734) 2.049 15.692 ( -0.092 -0.702 -0.357) 0.793 15.725 ( 0.176 -0.548 -0.774) 0.965 16.287 ( -2.063 1.019 2.282) 3.241 16.403 ( 1.697 -0.314 -1.668) 2.400 16.723 ( 0.444 -3.030 1.026) 3.230 16.833 ( -1.761 -0.670 -3.715) 4.166 17.056 ( 0.209 -0.964 3.492) 3.628 17.083 ( -0.642 -0.891 0.877) 1.405 17.104 ( 0.839 0.143 0.609) 1.047 17.194 ( -1.418 1.991 -3.802) 4.520 17.646 ( -1.106 -1.393 1.116) 2.100 17.700 ( 0.924 -0.935 -0.936) 1.614 17.735 ( 0.533 0.108 0.208) 0.582 17.742 ( 0.644 0.465 -0.066) 0.797 17.955 ( -0.697 4.306 2.560) 5.058 18.093 ( 0.390 6.070 -4.048) 7.306 18.291 ( 1.181 -0.070 2.015) 2.337 18.368 ( -0.662 2.289 -1.168) 2.654 18.557 ( 0.410 4.688 -0.458) 4.729 18.638 ( 0.937 1.675 -2.291) 2.989 18.754 ( -0.336 -0.961 0.402) 1.095 18.785 ( 1.500 0.594 -0.697) 1.757 19.025 ( -1.007 -3.898 6.291) 7.469 19.158 ( -1.091 -2.335 -2.512) 3.599 19.557 ( -1.470 5.019 4.569) 6.944 19.742 ( 0.995 1.071 -2.902) 3.250 ======================= Grid point 56 (24/56) ======================= q-point: ( 0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 6.138 7.267 11.604) 15.004 0.838 ( 6.024 8.853 9.995) 14.648 0.935 ( 1.950 4.258 -6.361) 7.899 1.189 ( 5.449 8.818 5.540) 11.753 1.242 ( 3.588 11.075 5.978) 13.087 1.344 ( -4.837 10.503 -0.164) 11.565 1.471 ( 5.490 0.593 1.368) 5.689 1.518 ( -4.632 4.178 0.219) 6.242 1.570 ( 2.797 0.982 0.721) 3.051 1.674 ( 2.667 1.087 -0.387) 2.906 1.721 ( -0.244 2.121 -1.388) 2.547 1.792 ( 3.749 3.316 -5.628) 7.531 1.815 ( -0.602 0.774 1.468) 1.766 1.962 ( 5.580 -1.623 -1.773) 6.076 2.011 ( 3.820 4.237 -2.313) 6.156 2.031 ( 5.067 -1.209 0.168) 5.212 2.159 ( 4.030 6.939 5.915) 9.969 2.216 ( 0.297 3.511 3.777) 5.165 2.280 ( -1.062 2.456 -1.780) 3.214 2.369 ( -4.373 -1.747 0.256) 4.716 2.439 ( -1.564 1.956 3.756) 4.514 2.546 ( -1.820 -1.113 -0.298) 2.154 2.568 ( -0.470 5.607 1.161) 5.745 2.650 ( 0.246 -0.735 0.855) 1.154 2.709 ( -0.817 3.077 -8.015) 8.624 2.744 ( -0.293 1.642 1.282) 2.104 2.866 ( -0.409 0.189 -4.387) 4.410 2.952 ( -3.951 0.157 -3.141) 5.049 3.037 ( -1.448 2.847 -0.912) 3.322 3.087 ( 0.598 0.611 0.526) 1.003 3.130 ( 1.630 -0.817 -3.593) 4.030 3.185 ( 0.079 -1.126 -5.912) 6.019 3.234 ( -4.295 0.865 0.557) 4.416 3.267 ( -5.981 -2.464 -2.373) 6.890 3.334 ( -3.314 2.363 0.988) 4.188 3.387 ( -5.439 -4.583 1.363) 7.242 3.412 ( -0.289 3.485 1.785) 3.927 3.488 ( 0.356 -1.753 -3.109) 3.587 3.543 ( 0.825 -0.446 2.360) 2.540 3.603 ( -1.484 3.150 -2.802) 4.470 3.674 ( 2.786 2.604 -1.983) 4.298 3.734 ( -3.151 -2.044 1.217) 3.948 3.756 ( 2.862 -0.947 1.120) 3.216 3.853 ( -1.770 1.308 1.937) 2.932 3.900 ( -2.419 3.240 -3.177) 5.142 3.942 ( -2.499 3.739 -0.114) 4.499 3.999 ( 1.489 1.212 0.898) 2.119 4.029 ( -0.365 0.602 -0.413) 0.816 4.108 ( 0.262 -0.704 3.672) 3.748 4.209 ( 0.444 -3.837 -1.870) 4.291 4.304 ( -0.904 -2.489 1.791) 3.197 4.351 ( 0.869 -3.254 -3.921) 5.169 4.550 ( -2.638 2.436 -0.926) 3.708 4.618 ( 0.267 -1.981 0.039) 1.999 4.635 ( -2.551 -0.252 -0.491) 2.610 4.721 ( 0.600 1.587 1.017) 1.978 4.781 ( -0.745 0.090 3.627) 3.703 4.886 ( -3.444 3.346 -0.114) 4.803 4.940 ( 0.337 3.321 -0.703) 3.411 5.091 ( -1.685 -1.409 2.711) 3.489 5.105 ( 2.103 -1.359 -2.392) 3.462 5.152 ( 1.020 -1.366 0.239) 1.722 5.186 ( 0.653 2.741 1.288) 3.098 5.267 ( -0.948 -1.406 -1.559) 2.303 5.293 ( -0.260 0.444 1.084) 1.200 5.344 ( 0.817 0.601 -1.137) 1.523 5.474 ( -1.158 -0.876 -1.036) 1.784 5.538 ( -1.331 -0.977 -1.681) 2.356 5.645 ( 0.201 -1.147 1.088) 1.594 5.656 ( 0.821 -0.530 2.462) 2.649 5.671 ( 0.947 -2.752 0.396) 2.938 5.705 ( 0.323 -0.811 0.240) 0.906 5.759 ( -2.658 -0.557 0.602) 2.782 5.805 ( -0.256 -0.084 2.533) 2.547 5.855 ( -2.077 1.545 -0.697) 2.680 5.925 ( 0.747 -2.974 -0.693) 3.143 5.958 ( 2.241 -3.498 -1.592) 4.449 6.000 ( 1.723 -1.758 -0.376) 2.490 6.040 ( -0.804 -0.769 0.357) 1.168 6.113 ( 1.738 1.553 3.147) 3.916 6.180 ( -0.325 0.472 -1.740) 1.832 6.232 ( 4.333 1.832 -1.696) 5.001 6.374 ( 6.422 2.813 0.959) 7.077 6.416 ( 4.337 2.269 -2.106) 5.329 6.535 ( -5.165 -3.966 1.165) 6.616 6.569 ( -0.262 0.824 2.208) 2.372 6.683 ( -0.619 0.548 2.621) 2.748 6.784 ( -2.621 0.230 1.053) 2.834 6.881 ( 1.573 0.006 0.152) 1.581 6.973 ( 0.908 2.654 -0.933) 2.956 7.004 ( -0.061 1.027 -0.259) 1.061 7.110 ( 1.869 -1.315 0.803) 2.422 7.171 ( 0.753 -3.087 -1.208) 3.399 7.224 ( -2.704 2.325 2.063) 4.120 7.400 ( -2.161 -3.855 -2.143) 4.911 7.536 ( 0.455 1.950 -0.385) 2.039 7.635 ( 0.741 -3.529 0.324) 3.621 7.715 ( 4.316 -2.615 0.025) 5.047 7.794 ( 1.831 -0.277 0.240) 1.867 7.857 ( 6.211 2.215 -1.904) 6.863 9.157 ( -1.768 -1.439 -0.669) 2.376 9.159 ( -1.459 -0.899 0.789) 1.887 9.241 ( -1.949 -0.828 -0.585) 2.197 9.278 ( 0.123 0.944 -0.215) 0.976 13.013 ( -1.487 -1.503 0.019) 2.114 13.034 ( -1.555 -0.649 -0.212) 1.698 13.229 ( 0.548 -0.522 0.740) 1.059 13.239 ( 0.099 -0.660 -0.486) 0.826 14.041 ( -0.649 -0.452 -0.476) 0.923 14.087 ( -1.283 -0.551 0.179) 1.408 14.174 ( 1.998 -0.570 1.323) 2.463 14.204 ( 5.313 -1.077 -2.355) 5.910 15.261 ( -2.311 0.219 -0.242) 2.334 15.330 ( 0.791 0.861 -0.599) 1.314 15.395 ( -0.313 -1.987 -0.651) 2.114 15.458 ( 3.048 -1.095 -0.095) 3.240 15.553 ( -1.467 -1.153 3.052) 3.577 15.649 ( 0.054 -1.776 -1.832) 2.552 15.675 ( -1.373 -0.860 -0.024) 1.620 15.709 ( -1.250 -0.443 -0.166) 1.336 16.271 ( -0.736 0.963 1.755) 2.133 16.446 ( 3.413 -0.055 -1.048) 3.571 16.725 ( -1.371 -2.814 2.400) 3.945 16.760 ( -3.177 -0.833 -3.355) 4.695 17.060 ( -1.270 -2.021 0.553) 2.450 17.077 ( -0.067 0.716 2.142) 2.260 17.130 ( 0.852 0.301 0.656) 1.117 17.154 ( -0.594 1.548 -1.771) 2.426 17.634 ( -0.495 -0.576 0.846) 1.137 17.714 ( 0.731 -0.175 -0.527) 0.918 17.751 ( 1.334 -0.049 -0.544) 1.441 17.762 ( 1.250 -0.824 -0.444) 1.562 17.950 ( -1.440 3.858 2.592) 4.866 18.078 ( 0.331 6.147 -2.745) 6.740 18.290 ( -2.179 -0.114 1.632) 2.725 18.335 ( -1.664 2.179 -1.058) 2.939 18.545 ( -1.329 3.677 -0.090) 3.911 18.643 ( 1.356 2.908 -1.654) 3.610 18.733 ( -1.455 -0.866 -1.426) 2.214 18.817 ( 1.984 0.718 -0.792) 2.253 19.036 ( -2.587 -2.171 6.985) 7.758 19.090 ( -2.605 -1.609 -0.729) 3.147 19.497 ( -5.324 6.978 6.035) 10.652 19.719 ( -1.231 1.055 -3.578) 3.928 ======================= Grid point 57 (25/56) ======================= q-point: ( 0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 10.899 2.396 5.486) 12.435 0.993 ( 6.137 -1.125 2.634) 6.773 1.045 ( 9.411 2.198 1.739) 9.820 1.229 ( -4.427 5.866 3.320) 8.064 1.279 ( -2.713 7.930 -1.585) 8.530 1.323 ( -0.879 1.677 7.704) 7.933 1.422 ( -2.289 5.442 -1.471) 6.084 1.534 ( 0.299 1.216 -2.731) 3.005 1.633 ( 1.441 0.204 0.980) 1.754 1.699 ( 0.569 -2.406 -2.118) 3.255 1.813 ( 4.364 0.803 -2.880) 5.290 1.832 ( 1.459 0.076 1.748) 2.278 1.862 ( 9.652 -0.175 0.967) 9.702 2.000 ( 1.685 2.336 -7.911) 8.419 2.042 ( 1.722 -0.905 0.875) 2.133 2.082 ( -0.600 -0.558 0.597) 1.014 2.159 ( -5.288 -0.810 4.138) 6.763 2.237 ( 0.174 4.721 3.001) 5.596 2.281 ( -2.241 -2.887 0.444) 3.682 2.389 ( 6.270 4.417 2.920) 8.207 2.436 ( -0.267 4.191 3.930) 5.752 2.525 ( -0.167 -0.876 -4.069) 4.166 2.562 ( -0.533 5.963 -2.843) 6.628 2.639 ( -1.477 -3.888 -0.344) 4.173 2.673 ( -0.461 2.617 -1.810) 3.215 2.728 ( -0.689 -1.492 2.281) 2.811 2.813 ( -3.207 -0.849 -3.430) 4.771 2.884 ( 0.232 3.377 -1.956) 3.909 2.946 ( -2.842 4.580 -1.239) 5.531 3.059 ( -6.961 -2.108 3.197) 7.945 3.107 ( -3.114 -1.087 -2.655) 4.234 3.144 ( -3.220 -1.795 -4.958) 6.178 3.163 ( 0.368 -0.190 -0.995) 1.077 3.213 ( 1.593 3.357 0.258) 3.725 3.258 ( -1.293 0.202 -0.823) 1.546 3.314 ( -2.223 -2.756 -2.897) 4.575 3.406 ( -0.911 3.152 0.076) 3.282 3.471 ( -0.645 0.069 -1.093) 1.271 3.564 ( -0.483 2.378 -1.520) 2.863 3.602 ( 2.273 2.366 3.089) 4.506 3.693 ( -0.461 1.643 -1.278) 2.132 3.736 ( 2.511 0.997 0.062) 2.703 3.790 ( -1.510 2.809 2.241) 3.898 3.808 ( -2.616 1.588 -1.357) 3.348 3.830 ( -0.551 0.755 -0.809) 1.237 3.910 ( -0.990 2.662 0.083) 2.841 4.003 ( -0.883 0.983 1.233) 1.807 4.022 ( -1.903 1.071 2.689) 3.464 4.149 ( 1.602 0.249 2.214) 2.744 4.238 ( 2.332 0.997 -0.342) 2.559 4.284 ( -1.018 0.171 -1.313) 1.671 4.361 ( 2.236 0.042 -0.302) 2.256 4.500 ( -0.856 1.508 -0.870) 1.940 4.560 ( -3.988 3.220 -3.071) 5.975 4.600 ( -2.190 -2.410 0.487) 3.292 4.684 ( -4.372 0.648 -0.257) 4.428 4.783 ( -2.729 0.811 6.473) 7.071 4.839 ( -0.581 1.041 1.565) 1.967 4.943 ( 1.199 2.480 -4.226) 5.045 5.091 ( -0.786 -1.874 -0.874) 2.212 5.111 ( 0.730 -2.312 0.411) 2.459 5.177 ( 1.362 -1.139 -1.265) 2.180 5.208 ( -0.093 -0.120 3.109) 3.113 5.248 ( -0.273 0.415 0.717) 0.872 5.294 ( 0.723 0.780 -0.214) 1.085 5.369 ( 1.042 2.733 0.993) 3.089 5.454 ( 0.858 1.148 -4.193) 4.432 5.553 ( 3.783 -3.607 -0.073) 5.227 5.639 ( -0.399 -1.468 0.810) 1.723 5.666 ( -1.013 -0.665 0.598) 1.351 5.681 ( -0.665 -1.721 1.815) 2.588 5.703 ( -2.418 -0.739 0.006) 2.529 5.758 ( 0.444 -0.379 0.361) 0.686 5.803 ( 0.584 0.688 0.970) 1.325 5.846 ( 1.178 0.451 0.731) 1.458 5.923 ( -0.185 -3.814 -0.810) 3.904 5.970 ( -0.948 -3.430 -1.127) 3.733 5.997 ( -2.474 -0.732 0.305) 2.598 6.069 ( 4.000 -1.269 1.240) 4.376 6.156 ( 0.603 2.797 2.289) 3.665 6.206 ( 4.012 -3.002 -1.898) 5.358 6.292 ( 2.799 1.807 -2.053) 3.913 6.393 ( -3.588 -3.934 -1.656) 5.576 6.446 ( 0.427 -1.281 -1.341) 1.903 6.529 ( 0.627 -0.329 3.246) 3.322 6.636 ( 5.671 2.990 0.942) 6.480 6.683 ( -0.030 1.806 0.144) 1.812 6.757 ( -0.732 6.374 1.470) 6.583 6.870 ( -2.460 1.158 -0.000) 2.719 6.938 ( -3.530 2.790 0.553) 4.534 6.990 ( -2.378 2.542 1.994) 4.012 7.067 ( -1.746 0.579 -1.430) 2.331 7.253 ( 3.558 0.360 1.326) 3.814 7.288 ( 7.761 -2.424 -1.492) 8.266 7.356 ( -0.752 -2.334 -1.892) 3.097 7.480 ( -3.849 3.291 -0.019) 5.064 7.669 ( 1.729 -5.526 0.420) 5.805 7.792 ( -1.273 -2.217 -0.437) 2.593 7.868 ( 8.022 -2.706 0.390) 8.475 7.967 ( 4.665 -0.398 -0.606) 4.721 9.122 ( -1.371 -2.089 -0.293) 2.516 9.134 ( -1.077 -1.494 0.409) 1.887 9.197 ( -1.868 -2.136 -0.353) 2.860 9.251 ( -2.457 -0.661 -0.022) 2.544 12.987 ( -0.999 -1.389 0.101) 1.714 13.003 ( -1.164 -1.125 -0.043) 1.620 13.239 ( 0.143 -0.410 -0.087) 0.443 13.240 ( 0.148 -0.400 -0.015) 0.427 14.037 ( 0.464 -0.664 -0.608) 1.013 14.067 ( -0.705 -0.728 -0.358) 1.074 14.214 ( 0.794 0.019 2.109) 2.254 14.282 ( 3.907 -0.687 -2.054) 4.467 15.227 ( -1.128 0.572 0.525) 1.370 15.334 ( 0.240 1.667 -1.541) 2.283 15.394 ( 0.530 -1.597 0.232) 1.698 15.518 ( 2.989 -1.102 -0.294) 3.200 15.537 ( -1.637 -1.154 2.543) 3.237 15.616 ( -1.755 -1.482 -2.940) 3.731 15.658 ( -0.536 -0.755 0.268) 0.964 15.682 ( -1.385 -0.358 0.264) 1.455 16.281 ( 0.447 0.660 2.199) 2.339 16.508 ( 3.175 -0.120 -2.411) 3.988 16.684 ( -2.297 -1.833 -0.983) 3.099 16.703 ( -2.416 -2.657 2.642) 4.458 17.046 ( -0.334 -2.053 0.298) 2.101 17.090 ( 0.219 0.543 1.101) 1.247 17.127 ( -0.494 0.867 -1.469) 1.775 17.146 ( -0.338 -0.262 0.200) 0.472 17.638 ( 0.213 0.557 0.870) 1.055 17.721 ( 0.690 0.606 -1.450) 1.717 17.769 ( 0.552 0.136 0.049) 0.571 17.789 ( 1.644 -1.706 -0.397) 2.402 17.937 ( -1.470 3.649 2.837) 4.850 18.073 ( 0.669 6.146 -2.122) 6.536 18.248 ( -2.547 0.687 0.955) 2.806 18.294 ( -1.727 2.281 -0.718) 2.950 18.523 ( -0.609 2.427 -0.109) 2.504 18.653 ( 0.461 1.986 -3.525) 4.072 18.699 ( -0.697 1.398 0.434) 1.621 18.845 ( 1.267 0.738 -1.023) 1.787 19.008 ( -2.837 1.067 4.509) 5.433 19.074 ( -0.608 -2.974 1.723) 3.491 19.447 ( -3.477 6.195 5.016) 8.696 19.667 ( -0.864 1.004 -4.638) 4.823 ======================= Grid point 58 (26/56) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -6.445 3.501 1.590) 7.505 1.061 ( -11.979 4.868 1.993) 13.083 1.134 ( -3.263 0.845 6.281) 7.129 1.147 ( 5.791 -0.261 1.211) 5.922 1.279 ( -0.929 1.103 -3.604) 3.882 1.349 ( 13.198 -4.309 0.774) 13.906 1.430 ( -0.805 3.541 11.316) 11.885 1.520 ( -1.151 0.382 -3.751) 3.942 1.634 ( 1.135 3.674 -4.636) 6.023 1.740 ( 1.856 -1.888 1.463) 3.025 1.854 ( -1.935 3.520 -1.148) 4.178 1.859 ( 0.869 0.432 0.484) 1.085 1.917 ( 0.867 -1.900 -2.981) 3.640 1.968 ( -3.318 2.013 -5.223) 6.507 2.015 ( -4.385 -1.949 1.042) 4.910 2.073 ( -2.331 -4.043 -1.140) 4.804 2.134 ( 1.460 -4.245 3.982) 6.001 2.267 ( -0.562 2.629 4.229) 5.011 2.288 ( 2.377 -1.615 2.402) 3.745 2.394 ( -4.321 2.237 -3.264) 5.859 2.471 ( 1.056 5.188 -0.319) 5.304 2.518 ( 0.196 3.070 -3.085) 4.356 2.563 ( -0.149 1.969 -1.614) 2.550 2.577 ( 2.708 -2.698 0.659) 3.879 2.701 ( -0.367 2.050 -0.025) 2.083 2.756 ( 1.406 -1.215 1.092) 2.155 2.789 ( 3.237 -6.302 3.199) 7.774 2.881 ( 1.266 1.106 -0.598) 1.785 2.922 ( -0.652 4.034 -2.383) 4.730 2.980 ( -0.138 2.277 1.080) 2.524 3.021 ( -2.867 1.200 -0.435) 3.138 3.073 ( -0.287 -1.040 -3.219) 3.395 3.203 ( 3.758 0.817 -2.481) 4.576 3.239 ( -0.701 1.429 0.082) 1.593 3.270 ( 2.688 0.842 -2.276) 3.621 3.287 ( 2.523 0.187 -0.958) 2.705 3.390 ( 0.007 2.570 -1.537) 2.995 3.424 ( -2.005 4.431 -4.665) 6.739 3.582 ( 0.903 0.624 1.938) 2.227 3.641 ( -0.023 1.746 3.490) 3.902 3.669 ( -0.774 2.234 0.033) 2.364 3.735 ( -2.987 1.810 -1.073) 3.654 3.764 ( 0.871 1.828 0.975) 2.247 3.820 ( 2.739 1.838 -0.533) 3.341 3.848 ( 1.537 2.109 -0.137) 2.613 3.893 ( -0.653 2.681 -1.458) 3.121 3.979 ( -2.553 0.348 2.096) 3.321 4.010 ( -0.163 1.080 3.159) 3.343 4.158 ( -2.266 3.509 1.493) 4.436 4.273 ( 0.877 -0.100 -1.305) 1.575 4.306 ( 4.188 4.129 0.876) 5.946 4.401 ( 0.742 2.356 0.239) 2.482 4.455 ( -3.828 1.921 -2.007) 4.730 4.531 ( 4.167 0.262 -0.669) 4.228 4.555 ( -2.044 -2.687 -0.500) 3.413 4.622 ( 0.148 -0.130 -1.510) 1.523 4.780 ( -1.401 0.443 6.243) 6.414 4.852 ( -0.275 0.514 3.127) 3.181 4.941 ( 1.997 2.782 -5.384) 6.381 5.055 ( -1.299 -2.060 -1.770) 3.011 5.102 ( -1.953 -0.829 -0.298) 2.143 5.181 ( -0.009 -0.742 0.378) 0.833 5.225 ( 0.463 -1.127 -0.679) 1.394 5.272 ( 0.201 1.480 4.550) 4.789 5.308 ( 0.841 1.023 -1.198) 1.785 5.375 ( -0.552 2.613 0.335) 2.691 5.487 ( 3.665 -0.294 -0.111) 3.678 5.609 ( -4.141 -1.740 -1.528) 4.745 5.631 ( -2.090 -1.124 -0.149) 2.378 5.636 ( 2.160 -2.478 -0.558) 3.334 5.670 ( -1.706 -1.082 2.376) 3.119 5.678 ( 2.778 -0.737 0.386) 2.900 5.730 ( -1.483 0.879 0.136) 1.729 5.850 ( -2.467 -3.352 0.569) 4.201 5.861 ( 3.118 -1.520 -1.272) 3.695 5.907 ( -0.258 -0.416 0.421) 0.646 5.947 ( 1.389 -2.844 0.444) 3.196 5.982 ( -0.327 -1.570 0.241) 1.622 6.107 ( -1.886 -1.093 1.031) 2.412 6.176 ( -0.233 4.204 1.916) 4.626 6.264 ( 1.234 -4.300 -2.114) 4.948 6.305 ( 0.092 1.561 -1.687) 2.300 6.356 ( 1.625 -5.209 -0.666) 5.497 6.410 ( -1.857 -1.302 -2.499) 3.375 6.557 ( 0.237 0.145 3.995) 4.004 6.652 ( -0.565 -0.006 -0.489) 0.747 6.735 ( -2.466 4.312 1.164) 5.102 6.768 ( 3.884 6.531 0.226) 7.602 6.856 ( -2.827 3.482 0.998) 4.595 6.876 ( 2.792 3.331 0.290) 4.356 6.952 ( -2.343 2.456 1.586) 3.746 7.045 ( 0.220 1.025 -1.862) 2.136 7.302 ( -1.194 0.743 0.633) 1.542 7.347 ( 0.831 -2.683 -1.218) 3.062 7.399 ( 2.003 -0.484 -0.793) 2.208 7.404 ( -1.879 0.903 -0.798) 2.232 7.695 ( 0.215 -4.095 1.180) 4.267 7.761 ( -0.339 -3.553 -1.216) 3.771 7.968 ( 0.359 -1.550 0.963) 1.860 8.008 ( 0.141 -2.248 -0.583) 2.327 9.108 ( -0.032 -1.985 0.168) 1.992 9.122 ( -0.123 -1.565 -0.462) 1.636 9.186 ( 0.813 -2.527 0.670) 2.738 9.213 ( -0.255 -2.392 -0.415) 2.441 12.979 ( 0.062 -0.949 0.329) 1.006 12.993 ( 0.158 -1.919 -0.088) 1.927 13.237 ( -0.394 -0.189 -0.103) 0.449 13.241 ( 0.223 -0.341 -0.205) 0.457 14.047 ( 0.815 -0.911 -0.437) 1.298 14.056 ( -0.109 -0.794 -0.661) 1.038 14.224 ( -1.198 0.372 2.209) 2.540 14.326 ( 1.679 -0.603 -1.446) 2.296 15.225 ( 0.255 0.845 1.276) 1.552 15.325 ( 0.365 1.752 -2.843) 3.360 15.416 ( 0.815 -0.900 2.012) 2.350 15.512 ( -1.761 -1.292 1.628) 2.724 15.557 ( -2.405 -1.343 -2.353) 3.623 15.579 ( 2.984 -1.267 -1.237) 3.470 15.652 ( -0.037 -0.363 0.362) 0.514 15.668 ( -0.075 -0.314 -0.034) 0.324 16.309 ( 0.459 0.380 3.291) 3.344 16.499 ( -1.444 -0.406 -4.723) 4.955 16.673 ( -1.729 -2.976 1.906) 3.935 16.699 ( 3.242 -2.089 1.648) 4.195 17.050 ( 0.266 -1.509 0.813) 1.734 17.084 ( -1.412 -0.269 0.023) 1.438 17.118 ( 0.434 0.512 -0.946) 1.160 17.137 ( 0.099 0.129 -0.637) 0.657 17.647 ( 0.061 0.869 1.090) 1.396 17.723 ( 0.537 0.796 -2.112) 2.320 17.773 ( -0.302 -0.287 0.494) 0.647 17.807 ( 0.177 -1.747 -0.374) 1.795 17.932 ( -0.890 3.780 3.132) 4.990 18.080 ( 1.386 6.251 -2.137) 6.751 18.210 ( -1.830 1.104 0.743) 2.263 18.275 ( 0.589 2.613 -0.864) 2.814 18.519 ( 0.114 2.407 0.220) 2.420 18.620 ( -0.433 0.992 -4.820) 4.940 18.713 ( 0.394 2.576 2.614) 3.691 18.847 ( -0.271 0.586 -1.838) 1.949 18.992 ( -1.776 1.499 4.287) 4.877 19.069 ( -0.551 -1.862 0.772) 2.090 19.418 ( -2.267 5.590 3.930) 7.199 19.647 ( 1.822 0.792 -4.341) 4.774 ======================= Grid point 59 (27/56) ======================= q-point: (-0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -16.614 3.374 3.540) 17.319 0.820 ( -11.975 8.276 8.943) 17.084 1.105 ( -1.852 -0.232 2.737) 3.313 1.201 ( -3.568 0.543 6.439) 7.381 1.329 ( 0.401 3.068 0.509) 3.136 1.428 ( -2.005 4.567 -0.448) 5.007 1.465 ( -0.277 -0.912 -1.379) 1.677 1.575 ( 5.444 3.362 -0.653) 6.431 1.623 ( 1.374 2.348 -3.424) 4.373 1.703 ( -8.921 -1.476 0.772) 9.075 1.734 ( -4.374 0.310 1.464) 4.623 1.848 ( -0.269 4.598 -5.187) 6.937 1.870 ( -3.952 -2.588 -0.309) 4.734 1.927 ( -0.527 0.782 -3.391) 3.519 1.958 ( -2.369 1.173 -0.373) 2.669 2.029 ( -0.628 2.711 -0.624) 2.851 2.187 ( 1.313 1.148 5.390) 5.665 2.270 ( -0.512 -0.666 3.150) 3.260 2.295 ( -1.048 3.912 0.983) 4.167 2.366 ( 1.460 -2.425 0.260) 2.843 2.435 ( -2.507 4.909 0.679) 5.554 2.520 ( -2.487 -5.310 -2.925) 6.553 2.550 ( 2.700 2.450 1.537) 3.957 2.627 ( 0.730 -0.540 -0.290) 0.953 2.699 ( 0.471 1.498 -0.320) 1.602 2.778 ( 2.465 -0.514 -2.253) 3.379 2.862 ( 1.253 0.632 -0.761) 1.596 2.930 ( 2.450 -0.589 -1.881) 3.144 2.982 ( 0.265 0.860 -4.059) 4.158 3.009 ( 6.770 1.491 3.180) 7.627 3.038 ( 9.372 -2.568 -2.469) 10.026 3.091 ( 2.214 0.818 -2.271) 3.276 3.222 ( 0.848 4.806 -3.277) 5.878 3.250 ( -0.623 0.895 2.501) 2.728 3.304 ( 0.788 2.580 -0.201) 2.705 3.341 ( 4.448 -0.156 -6.397) 7.793 3.400 ( 3.400 2.596 1.938) 4.697 3.416 ( 2.952 -0.596 -1.305) 3.282 3.584 ( -0.277 0.926 1.857) 2.093 3.638 ( -2.039 0.054 0.732) 2.167 3.683 ( -1.601 0.416 -0.335) 1.688 3.702 ( 1.362 0.023 1.300) 1.883 3.786 ( 1.472 1.422 -0.046) 2.047 3.844 ( -1.232 1.604 -1.534) 2.538 3.861 ( 1.025 3.262 -2.340) 4.143 3.892 ( 2.619 4.621 0.123) 5.313 3.977 ( 0.843 0.834 2.599) 2.857 4.038 ( 0.497 1.073 3.221) 3.431 4.114 ( -2.181 4.105 0.484) 4.673 4.250 ( -2.606 -1.433 0.222) 2.983 4.343 ( -1.314 0.050 -2.184) 2.550 4.414 ( 2.229 0.325 -0.288) 2.271 4.459 ( 3.445 3.112 1.578) 4.903 4.517 ( -0.107 -1.752 -2.519) 3.070 4.624 ( 3.878 -0.659 -1.200) 4.112 4.680 ( 5.599 1.805 -0.113) 5.884 4.795 ( -0.109 0.639 3.175) 3.240 4.863 ( -0.410 -0.035 3.640) 3.664 4.962 ( 2.557 3.329 -3.017) 5.169 5.031 ( -0.921 -1.736 -1.312) 2.363 5.049 ( -2.698 -1.136 1.911) 3.496 5.190 ( 0.750 -1.090 0.287) 1.354 5.224 ( -0.095 0.592 -1.311) 1.441 5.270 ( -1.677 3.179 1.505) 3.896 5.318 ( 0.397 -1.316 -0.387) 1.428 5.362 ( -1.092 0.799 0.126) 1.359 5.490 ( -3.437 -2.423 -2.292) 4.789 5.558 ( -0.626 -1.501 -0.182) 1.636 5.592 ( 0.203 0.649 0.060) 0.683 5.640 ( -1.564 -1.700 3.294) 4.023 5.671 ( 0.527 -1.111 -0.444) 1.307 5.718 ( 0.483 -0.452 -0.107) 0.670 5.753 ( 2.966 -1.485 1.261) 3.548 5.792 ( -2.301 -1.716 0.652) 2.943 5.892 ( 1.085 -2.057 -1.005) 2.534 5.920 ( 0.401 -2.008 -0.204) 2.058 5.976 ( -0.672 -1.412 0.089) 1.566 6.005 ( 3.347 -0.706 0.190) 3.426 6.048 ( -3.603 0.064 1.726) 3.996 6.144 ( -3.616 1.543 0.747) 4.002 6.218 ( -2.583 -1.341 -1.542) 3.293 6.297 ( -0.730 1.189 -1.286) 1.897 6.381 ( -0.017 -0.799 -1.781) 1.952 6.400 ( 1.937 -4.613 -0.181) 5.006 6.558 ( -3.553 1.365 2.132) 4.363 6.646 ( -0.639 -0.309 1.035) 1.255 6.681 ( -2.547 3.463 0.123) 4.300 6.763 ( -1.660 3.312 1.052) 3.851 6.876 ( 1.824 1.710 -0.021) 2.501 6.959 ( 3.580 5.694 1.232) 6.838 6.977 ( 5.420 2.008 0.368) 5.791 7.049 ( 0.473 -0.036 0.075) 0.481 7.224 ( -5.975 0.286 0.227) 5.987 7.285 ( -5.889 -2.097 -0.386) 6.263 7.347 ( 0.023 -1.423 -1.767) 2.269 7.483 ( 4.634 3.085 -0.076) 5.568 7.678 ( -2.130 -5.710 0.527) 6.117 7.777 ( 0.817 -1.765 -0.529) 2.016 7.886 ( -7.238 -3.620 0.471) 8.106 7.968 ( -4.411 0.160 -0.693) 4.468 9.114 ( 0.971 -1.806 -0.104) 2.053 9.142 ( 2.026 -1.860 0.143) 2.754 9.207 ( 1.439 -2.263 -0.242) 2.693 9.256 ( 3.323 -1.240 -0.141) 3.550 12.994 ( 1.179 -0.728 0.195) 1.400 13.005 ( 1.113 -2.240 -0.168) 2.507 13.225 ( -0.659 -0.096 -0.045) 0.667 13.245 ( 0.191 -0.560 -0.043) 0.593 14.053 ( 0.512 -0.840 -1.076) 1.458 14.063 ( 0.906 -0.985 0.053) 1.340 14.194 ( -2.901 0.300 1.534) 3.295 14.322 ( -1.339 -1.303 -1.788) 2.586 15.250 ( 1.375 0.798 1.512) 2.194 15.315 ( 0.585 1.636 -3.372) 3.793 15.441 ( -0.099 -0.452 2.734) 2.773 15.482 ( -2.138 -1.831 -1.860) 3.374 15.504 ( -1.001 -1.123 0.933) 1.770 15.621 ( 1.883 -1.745 -1.105) 2.795 15.665 ( 0.901 -0.195 0.524) 1.060 15.678 ( 1.419 -0.011 -0.590) 1.536 16.327 ( -1.081 0.516 3.995) 4.171 16.437 ( -1.607 -0.637 -3.822) 4.194 16.668 ( 0.560 -3.201 0.569) 3.299 16.789 ( 4.384 -2.137 1.010) 4.981 17.050 ( -1.652 -0.573 0.095) 1.751 17.060 ( -0.045 -1.191 1.148) 1.655 17.112 ( -0.162 -0.015 -0.832) 0.848 17.162 ( 2.336 1.666 -0.201) 2.876 17.652 ( -0.336 -0.098 1.545) 1.585 17.715 ( 0.029 0.637 -2.018) 2.116 17.763 ( -0.951 -0.329 -0.034) 1.007 17.787 ( -1.652 -1.896 -0.936) 2.683 17.938 ( -0.492 4.287 3.069) 5.296 18.100 ( 2.397 6.628 -3.985) 8.097 18.191 ( -0.643 1.343 2.205) 2.661 18.307 ( 2.821 3.212 -0.570) 4.313 18.531 ( 0.792 3.214 0.733) 3.391 18.591 ( 0.436 1.447 -3.840) 4.127 18.736 ( -0.181 1.485 3.882) 4.160 18.814 ( -1.342 0.543 -2.634) 3.005 18.989 ( -1.310 0.928 4.907) 5.163 19.075 ( 0.953 -0.536 0.796) 1.353 19.413 ( -0.507 6.263 3.891) 7.391 19.676 ( 3.374 0.854 -3.834) 5.178 ======================= Grid point 60 (28/56) ======================= q-point: (-0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( -8.531 9.197 7.779) 14.761 0.691 ( -9.038 11.418 15.178) 21.034 1.049 ( -8.803 12.745 13.468) 20.526 1.157 ( -3.013 2.733 -2.715) 4.891 1.286 ( -3.525 2.171 0.385) 4.158 1.374 ( -1.181 5.194 -1.846) 5.637 1.428 ( -1.315 6.254 -0.343) 6.399 1.483 ( -6.732 2.890 -4.063) 8.378 1.631 ( 0.738 4.494 4.562) 6.446 1.677 ( 1.545 3.845 -2.995) 5.113 1.713 ( 0.897 2.248 0.798) 2.548 1.788 ( -1.260 3.083 -6.356) 7.176 1.800 ( -3.526 0.006 1.264) 3.745 1.884 ( -1.598 1.823 -0.931) 2.597 1.898 ( -2.051 0.336 -2.642) 3.362 2.037 ( -2.011 3.983 2.541) 5.134 2.168 ( -6.992 7.752 1.583) 10.559 2.256 ( -3.340 -0.419 5.130) 6.135 2.286 ( 1.712 2.094 -1.859) 3.282 2.401 ( 0.739 -2.435 -1.580) 2.995 2.436 ( 0.897 3.251 3.246) 4.681 2.485 ( 1.863 -2.416 0.254) 3.062 2.626 ( 0.897 0.201 2.399) 2.569 2.636 ( 2.055 1.389 -0.426) 2.517 2.705 ( 0.296 2.374 1.057) 2.616 2.833 ( 2.871 2.188 -3.429) 4.979 2.846 ( 0.903 -0.360 -2.565) 2.743 2.918 ( -0.180 -3.831 -4.315) 5.773 3.036 ( 5.309 1.110 -4.449) 7.015 3.079 ( 0.004 7.410 0.276) 7.415 3.123 ( 2.610 0.740 -3.677) 4.569 3.193 ( 1.152 1.491 -4.472) 4.853 3.221 ( 6.646 0.416 0.180) 6.661 3.308 ( 1.351 2.145 -0.498) 2.584 3.316 ( 4.764 -4.075 1.109) 6.366 3.403 ( 3.077 0.723 -0.321) 3.177 3.466 ( 2.236 1.779 -3.289) 4.357 3.473 ( 0.690 -5.162 1.972) 5.569 3.608 ( 0.015 -0.885 0.596) 1.067 3.623 ( 2.093 -0.703 0.803) 2.350 3.666 ( 0.001 1.313 -0.697) 1.486 3.678 ( -1.618 0.398 -1.066) 1.978 3.780 ( -2.598 3.091 -2.262) 4.628 3.845 ( 2.533 -0.629 2.204) 3.416 3.893 ( 1.890 3.428 0.505) 3.946 3.939 ( 1.455 3.292 -0.215) 3.606 4.005 ( -0.126 0.923 -0.399) 1.013 4.053 ( -0.328 0.098 1.367) 1.409 4.098 ( 0.864 4.157 -0.746) 4.311 4.212 ( -0.260 -3.913 0.509) 3.954 4.313 ( -0.087 -4.339 -2.538) 5.028 4.426 ( -3.006 -5.386 0.539) 6.192 4.487 ( 2.776 -0.597 -2.583) 3.839 4.571 ( 3.322 4.732 1.322) 5.931 4.665 ( 1.625 -0.405 -1.254) 2.092 4.742 ( -0.886 0.545 1.864) 2.135 4.810 ( -0.125 0.230 0.749) 0.793 4.911 ( 2.604 2.487 1.567) 3.927 4.954 ( -1.249 2.839 -1.323) 3.372 5.013 ( 0.951 1.212 0.162) 1.549 5.062 ( 0.991 -2.671 3.678) 4.652 5.197 ( -1.584 -0.862 1.672) 2.460 5.205 ( 0.093 2.082 -3.748) 4.289 5.257 ( 0.246 0.330 0.732) 0.840 5.317 ( -0.795 -1.128 1.069) 1.746 5.334 ( -0.201 -0.082 -2.410) 2.420 5.464 ( 1.778 -1.835 -1.412) 2.919 5.533 ( 0.826 -0.633 -1.510) 1.834 5.593 ( -1.195 -1.355 2.907) 3.423 5.651 ( -0.899 -0.114 2.665) 2.815 5.666 ( -0.177 -1.295 -0.394) 1.365 5.742 ( 1.707 -2.224 -0.798) 2.915 5.752 ( -1.379 -0.230 1.554) 2.090 5.816 ( 1.481 -2.204 0.518) 2.705 5.904 ( -0.254 -3.548 -1.354) 3.806 5.915 ( 0.807 -0.340 0.398) 0.962 5.953 ( -1.324 -0.665 -0.310) 1.513 6.001 ( -1.879 0.577 0.260) 1.983 6.063 ( 1.775 0.438 -0.183) 1.838 6.084 ( -2.217 -0.040 1.817) 2.867 6.170 ( -1.699 0.440 -1.572) 2.356 6.257 ( -2.143 1.560 -1.402) 2.998 6.338 ( -4.884 0.499 0.339) 4.921 6.436 ( 1.293 -2.655 -0.277) 2.967 6.471 ( -3.309 2.568 1.332) 4.395 6.607 ( -2.322 3.690 -0.331) 4.372 6.670 ( 1.238 -1.505 2.001) 2.793 6.807 ( 3.150 -2.217 2.265) 4.468 6.879 ( -1.198 2.070 0.793) 2.520 6.976 ( -3.716 -2.148 -1.994) 4.733 7.055 ( 1.072 0.155 -0.464) 1.178 7.057 ( -1.392 -0.266 1.893) 2.364 7.154 ( 1.791 2.238 -0.015) 2.867 7.265 ( 3.434 -1.081 3.601) 5.092 7.343 ( 1.647 -1.304 -3.132) 3.771 7.548 ( -1.092 0.808 -0.704) 1.530 7.642 ( -0.928 -4.376 0.404) 4.491 7.707 ( -2.643 -1.154 0.084) 2.885 7.806 ( -4.593 -0.606 0.450) 4.655 7.852 ( -3.648 3.088 -2.369) 5.334 9.143 ( 1.618 -1.544 0.032) 2.237 9.189 ( 2.480 -0.165 0.330) 2.507 9.228 ( 0.452 -2.206 -1.001) 2.464 9.296 ( 0.476 0.289 -0.580) 0.804 13.017 ( 1.049 -1.338 -0.082) 1.702 13.035 ( 1.840 -1.075 -0.203) 2.141 13.214 ( -0.475 -0.286 0.395) 0.681 13.247 ( -0.013 -0.771 -0.075) 0.775 14.061 ( 1.140 -0.663 -1.282) 1.839 14.084 ( 0.678 -0.972 1.013) 1.559 14.139 ( -2.783 -0.060 0.089) 2.785 14.245 ( -5.137 -1.954 -2.063) 5.871 15.291 ( 1.798 0.504 0.529) 1.941 15.310 ( 0.827 1.444 -2.207) 2.764 15.422 ( -2.320 -1.693 -1.664) 3.319 15.436 ( -1.186 -0.653 0.819) 1.582 15.525 ( 0.797 -1.676 3.281) 3.769 15.641 ( 0.942 -1.804 -0.793) 2.184 15.685 ( 0.839 -0.262 0.006) 0.879 15.709 ( 1.782 -0.277 -0.817) 1.980 16.315 ( -2.364 0.857 3.366) 4.202 16.400 ( -0.003 -0.673 -2.687) 2.770 16.696 ( 1.718 -3.301 0.288) 3.733 16.855 ( 1.838 -1.496 -1.843) 3.003 17.034 ( -0.428 -1.546 2.505) 2.975 17.070 ( 0.531 -0.590 0.909) 1.206 17.105 ( -0.414 0.182 -0.019) 0.453 17.209 ( 2.253 1.410 -1.784) 3.201 17.654 ( -0.639 -1.333 1.751) 2.291 17.702 ( -0.034 0.072 -1.957) 1.959 17.737 ( -1.156 -0.295 -0.652) 1.359 17.748 ( -1.251 -0.056 -0.008) 1.252 17.948 ( -0.355 4.639 2.712) 5.386 18.108 ( 1.385 6.121 -5.673) 8.460 18.230 ( 2.448 1.545 3.702) 4.699 18.359 ( 2.264 3.069 -0.700) 3.878 18.549 ( 0.782 4.261 -0.989) 4.444 18.605 ( 2.720 1.478 -1.067) 3.274 18.751 ( -0.694 0.173 3.538) 3.609 18.780 ( -0.338 0.646 -1.858) 1.996 19.004 ( -0.738 -2.013 5.864) 6.244 19.126 ( 3.595 -0.240 0.691) 3.668 19.465 ( 3.427 7.884 5.947) 10.453 19.719 ( 3.041 1.071 -3.332) 4.637 ======================= Grid point 61 (29/56) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -2.145 14.891 7.882) 16.985 0.973 ( 1.731 13.227 10.339) 16.877 1.229 ( -1.012 9.905 -8.016) 12.783 1.337 ( -3.714 9.995 7.162) 12.845 1.372 ( -0.402 5.876 -5.303) 7.925 1.451 ( 5.030 3.211 4.769) 7.640 1.502 ( 0.561 0.653 0.715) 1.119 1.631 ( 7.284 4.683 0.202) 8.661 1.676 ( -4.483 4.517 -1.087) 6.456 1.788 ( -3.523 3.185 -0.899) 4.833 1.823 ( -2.809 4.641 4.289) 6.916 1.840 ( 4.656 2.586 -1.390) 5.505 1.882 ( -2.572 8.979 1.148) 9.411 1.933 ( -2.947 7.076 -3.125) 8.277 1.992 ( 1.745 3.708 2.977) 5.066 2.086 ( 1.270 7.614 3.613) 8.522 2.238 ( -2.138 2.661 1.229) 3.628 2.274 ( 2.159 -0.128 -0.022) 2.163 2.318 ( -0.496 -0.109 0.125) 0.523 2.376 ( 1.308 1.655 -3.050) 3.709 2.489 ( 1.459 -0.451 1.770) 2.337 2.558 ( -2.115 1.404 2.823) 3.797 2.644 ( -1.154 1.361 1.184) 2.142 2.694 ( -1.750 2.685 0.471) 3.239 2.766 ( 1.846 2.554 -1.659) 3.562 2.841 ( 1.485 -0.844 3.774) 4.143 2.850 ( 1.738 0.053 -2.172) 2.782 2.950 ( 2.316 4.410 -3.631) 6.164 3.043 ( -1.020 -3.514 -4.091) 5.489 3.111 ( -2.057 -5.023 2.765) 6.092 3.145 ( 2.621 1.605 -5.873) 6.629 3.206 ( 0.946 -5.070 -3.053) 5.994 3.264 ( 2.523 5.051 -2.481) 6.167 3.317 ( -6.046 -4.038 -0.879) 7.324 3.381 ( -0.424 1.590 -1.275) 2.082 3.419 ( -0.569 -0.191 0.757) 0.966 3.468 ( -0.354 1.431 0.254) 1.495 3.536 ( 2.339 6.008 2.062) 6.769 3.581 ( -2.990 3.871 -2.187) 5.358 3.656 ( 2.998 1.472 -3.785) 5.048 3.681 ( 0.124 1.434 1.058) 1.786 3.718 ( 0.816 -2.336 4.187) 4.863 3.761 ( -2.235 -0.112 -0.523) 2.298 3.863 ( -1.379 0.970 -1.746) 2.428 3.928 ( 1.422 -0.347 0.148) 1.471 3.975 ( 1.284 1.133 0.009) 1.712 4.018 ( 2.484 0.544 0.195) 2.550 4.063 ( -0.229 1.800 -0.523) 1.889 4.106 ( -1.079 -1.954 -0.175) 2.239 4.140 ( -3.601 -2.868 -3.385) 5.714 4.221 ( 0.100 0.191 -1.007) 1.030 4.291 ( 0.308 -1.243 0.302) 1.316 4.519 ( 1.831 -1.436 1.669) 2.864 4.617 ( 0.075 -1.658 2.549) 3.041 4.648 ( 0.030 -1.801 -2.425) 3.021 4.721 ( -1.299 -0.495 -2.161) 2.569 4.851 ( -1.538 4.195 2.370) 5.058 4.983 ( 1.845 2.034 0.001) 2.746 5.004 ( -0.764 0.696 -1.394) 1.735 5.069 ( 1.334 0.101 0.366) 1.387 5.082 ( 1.139 0.475 0.014) 1.234 5.127 ( -2.771 -1.099 -0.412) 3.009 5.226 ( 0.452 1.192 -0.253) 1.299 5.275 ( -0.681 -0.527 0.397) 0.948 5.291 ( 1.033 1.208 -1.623) 2.272 5.345 ( 0.668 0.734 -1.573) 1.860 5.450 ( -0.633 -1.506 3.337) 3.715 5.547 ( -0.224 -3.201 3.666) 4.872 5.560 ( 1.839 -1.747 -1.113) 2.770 5.615 ( -0.117 -1.495 -0.718) 1.663 5.640 ( -0.994 -0.038 1.386) 1.706 5.685 ( -1.186 -2.020 0.056) 2.343 5.734 ( 0.360 -4.178 -0.447) 4.217 5.745 ( 0.744 -2.700 -0.052) 2.801 5.842 ( 1.194 -2.217 -1.290) 2.829 5.884 ( -0.339 -2.413 0.133) 2.441 5.918 ( -1.685 0.122 -2.556) 3.064 5.946 ( 0.014 -1.523 -2.315) 2.771 6.073 ( -1.066 0.228 2.770) 2.977 6.110 ( 0.224 -0.511 4.478) 4.513 6.200 ( 0.633 2.594 0.219) 2.679 6.249 ( -0.569 2.396 -1.357) 2.812 6.395 ( 1.692 6.389 -0.262) 6.614 6.452 ( -0.274 2.287 -0.405) 2.339 6.508 ( 2.051 0.860 3.569) 4.206 6.595 ( -3.445 -2.012 -0.088) 3.991 6.667 ( 1.323 0.903 1.536) 2.219 6.737 ( -0.093 -3.218 0.709) 3.297 6.844 ( -1.471 -0.651 -0.072) 1.611 6.915 ( 1.178 -2.191 -2.172) 3.302 7.030 ( -0.158 1.678 1.521) 2.270 7.067 ( 0.656 1.053 -1.141) 1.685 7.159 ( -2.398 -4.321 1.550) 5.179 7.266 ( 4.466 -5.320 -2.354) 7.334 7.317 ( -4.648 -4.389 1.471) 6.560 7.373 ( 2.169 -2.164 -0.904) 3.195 7.692 ( -0.876 2.191 1.070) 2.591 7.735 ( -0.726 1.864 -0.656) 2.105 7.756 ( 0.425 0.635 0.741) 1.064 7.822 ( 0.962 -1.363 -1.904) 2.532 9.154 ( 0.607 -0.355 0.484) 0.853 9.180 ( -1.112 -0.935 -0.375) 1.501 9.269 ( 1.579 1.290 0.193) 2.048 9.292 ( -1.120 0.525 -0.508) 1.337 13.008 ( -0.119 -0.912 0.233) 0.949 13.029 ( 0.172 -1.229 -0.660) 1.405 13.205 ( 0.211 -0.362 0.407) 0.584 13.223 ( -0.141 -0.951 -0.266) 0.997 14.061 ( -1.752 -0.228 0.337) 1.799 14.087 ( 3.057 -0.400 -0.633) 3.148 14.112 ( 1.373 -0.931 0.119) 1.663 14.120 ( -2.742 -1.400 -0.196) 3.085 15.312 ( -1.046 -0.723 -1.506) 1.971 15.318 ( 0.216 0.072 -1.672) 1.687 15.383 ( 1.421 0.734 -0.232) 1.616 15.408 ( -0.410 -0.021 -0.944) 1.030 15.512 ( -0.050 -1.696 2.845) 3.312 15.604 ( 0.807 -2.539 -2.060) 3.368 15.672 ( -0.623 -0.823 0.912) 1.377 15.705 ( -0.039 -1.225 0.403) 1.290 16.325 ( -1.671 2.578 2.268) 3.819 16.428 ( 1.690 2.920 -1.506) 3.695 16.630 ( 0.110 -5.406 2.777) 6.079 16.784 ( -1.044 -4.159 -3.523) 5.550 17.036 ( 0.311 -0.504 1.225) 1.360 17.068 ( -0.459 -0.763 0.706) 1.136 17.112 ( 0.930 0.530 0.535) 1.197 17.196 ( -0.585 -1.312 -2.488) 2.873 17.639 ( -0.540 0.742 0.840) 1.244 17.688 ( 0.436 -0.116 -1.333) 1.408 17.741 ( 0.281 0.383 0.771) 0.906 17.755 ( 0.327 0.577 -0.067) 0.667 18.057 ( -1.109 4.793 2.787) 5.654 18.185 ( 0.174 2.301 -0.950) 2.495 18.326 ( 0.767 3.009 -0.459) 3.139 18.417 ( -0.145 1.834 -2.592) 3.178 18.638 ( 0.552 2.857 -0.702) 2.994 18.677 ( 1.477 1.646 -1.454) 2.647 18.745 ( -1.131 0.393 1.081) 1.613 18.797 ( 1.304 0.392 -0.465) 1.439 18.990 ( -1.312 0.165 5.163) 5.330 19.107 ( -1.189 -2.238 -0.656) 2.618 19.666 ( -0.355 4.765 2.080) 5.211 19.767 ( 0.670 1.074 -1.816) 2.214 ======================= Grid point 62 (30/56) ======================= q-point: ( 0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -0.766 9.623 7.640) 12.311 0.990 ( -6.378 7.000 -3.096) 9.963 1.120 ( -0.667 10.534 9.174) 13.985 1.352 ( -0.098 2.642 -2.281) 3.492 1.438 ( -0.426 6.442 -1.374) 6.601 1.505 ( 5.136 4.645 0.290) 6.931 1.530 ( -5.021 5.777 -0.236) 7.658 1.568 ( 1.278 -0.148 -0.801) 1.516 1.656 ( -5.565 5.604 6.671) 10.338 1.724 ( -0.103 1.226 -2.178) 2.502 1.801 ( -6.878 3.435 2.149) 7.983 1.845 ( 2.308 6.438 2.050) 7.140 1.890 ( 1.003 5.202 -3.389) 6.289 1.960 ( 6.043 0.453 -1.335) 6.205 2.053 ( 0.763 2.993 2.095) 3.732 2.142 ( 0.499 5.918 0.270) 5.945 2.192 ( -0.811 0.145 0.949) 1.257 2.260 ( -5.056 -1.359 0.267) 5.242 2.339 ( 3.469 1.138 1.620) 3.995 2.376 ( -1.263 1.001 -0.934) 1.863 2.472 ( -2.984 1.496 1.345) 3.599 2.520 ( -0.964 -0.095 1.193) 1.537 2.631 ( -1.665 0.130 2.824) 3.280 2.688 ( 0.261 3.173 1.732) 3.624 2.770 ( 0.060 1.793 -1.905) 2.616 2.799 ( -2.322 2.422 -5.513) 6.454 2.882 ( -1.435 1.396 -0.946) 2.214 2.973 ( 0.277 2.917 3.859) 4.846 2.989 ( -1.351 -1.614 -4.669) 5.122 3.104 ( 0.126 -4.855 -0.200) 4.861 3.133 ( -7.116 -2.821 -2.383) 8.018 3.162 ( 0.868 1.809 -2.765) 3.416 3.204 ( -1.168 -4.053 -3.559) 5.519 3.265 ( 0.254 3.867 -2.182) 4.448 3.338 ( -4.883 1.902 0.317) 5.250 3.380 ( -1.553 -1.037 1.814) 2.603 3.476 ( -1.773 4.243 2.992) 5.486 3.520 ( -1.760 4.802 -1.827) 5.431 3.593 ( 2.192 4.963 2.101) 5.818 3.657 ( 0.737 1.213 -2.861) 3.194 3.702 ( 2.212 0.937 0.071) 2.403 3.748 ( 3.626 0.244 -0.084) 3.635 3.773 ( 0.302 4.452 -0.959) 4.564 3.846 ( -0.667 -1.662 0.940) 2.022 3.947 ( -0.687 0.483 -2.182) 2.338 4.012 ( -1.063 1.973 -0.451) 2.286 4.018 ( 1.747 0.656 0.860) 2.055 4.050 ( -1.603 1.731 -0.682) 2.456 4.075 ( -0.398 -2.053 0.273) 2.109 4.162 ( 6.322 -0.131 0.350) 6.333 4.244 ( 2.069 -3.025 -1.357) 3.908 4.280 ( -0.352 -1.258 -0.536) 1.412 4.556 ( 0.773 -0.765 1.324) 1.713 4.601 ( -2.327 -1.001 -1.706) 3.054 4.635 ( -0.430 -0.947 0.742) 1.277 4.716 ( 1.655 -1.376 0.338) 2.179 4.832 ( -1.547 3.682 2.195) 4.558 4.964 ( -3.007 4.005 -1.887) 5.352 4.982 ( -2.037 -1.308 1.137) 2.675 5.072 ( -0.429 1.219 -0.486) 1.380 5.079 ( -1.364 -1.137 -1.638) 2.416 5.121 ( 2.361 -0.598 -0.485) 2.483 5.236 ( -0.370 1.339 -0.166) 1.399 5.255 ( -0.419 0.436 1.282) 1.417 5.305 ( -0.021 0.496 -0.662) 0.827 5.364 ( 2.781 1.024 -1.109) 3.164 5.450 ( 0.165 -0.331 1.711) 1.751 5.534 ( -2.060 -0.797 -0.022) 2.209 5.586 ( 1.289 -2.881 -0.565) 3.206 5.620 ( 0.211 -2.086 1.823) 2.778 5.642 ( 0.088 -1.182 1.054) 1.586 5.675 ( -0.178 -1.916 0.500) 1.988 5.732 ( 0.215 -1.834 -0.854) 2.034 5.767 ( 0.759 -3.296 1.722) 3.795 5.852 ( -0.724 -2.754 -0.337) 2.868 5.878 ( 1.453 -3.131 -2.630) 4.339 5.899 ( 0.253 1.370 -0.584) 1.511 5.952 ( 1.606 -1.974 -1.076) 2.763 6.054 ( -2.320 1.011 1.918) 3.176 6.130 ( -0.362 -1.523 2.310) 2.791 6.195 ( -0.176 3.425 0.219) 3.437 6.275 ( 2.649 2.048 -0.288) 3.360 6.417 ( -3.264 -1.924 -0.297) 3.801 6.462 ( 3.751 3.542 -0.610) 5.195 6.489 ( -1.816 0.524 0.494) 1.953 6.605 ( 2.879 2.366 1.760) 4.121 6.693 ( 0.467 0.266 -0.011) 0.538 6.763 ( 2.181 -1.510 1.603) 3.099 6.886 ( 3.261 0.232 0.133) 3.272 6.975 ( 4.339 -3.519 -0.742) 5.635 7.036 ( 0.587 2.946 -0.278) 3.017 7.091 ( 0.682 -0.604 0.650) 1.120 7.129 ( 1.373 -1.289 -0.691) 2.006 7.252 ( -2.130 -4.060 0.855) 4.663 7.315 ( 2.513 0.096 -1.406) 2.881 7.479 ( 5.028 -4.428 0.274) 6.705 7.635 ( 0.651 0.505 0.346) 0.894 7.696 ( -3.864 2.222 -0.198) 4.462 7.761 ( -1.117 -2.689 0.387) 2.937 7.881 ( 4.514 -0.142 -1.049) 4.637 9.123 ( -3.041 -0.997 -0.097) 3.202 9.151 ( -2.183 -0.415 0.552) 2.290 9.224 ( -3.671 -0.398 -0.610) 3.743 9.286 ( -1.671 -0.344 -0.023) 1.706 12.981 ( -1.940 -1.163 0.020) 2.262 13.014 ( -1.580 -1.163 -0.185) 1.970 13.218 ( 0.605 -0.517 0.394) 0.888 13.223 ( 0.327 -0.733 -0.320) 0.864 14.032 ( -0.873 -0.269 -0.412) 1.002 14.070 ( -1.582 -0.978 0.055) 1.861 14.160 ( 2.898 -0.573 0.949) 3.103 14.178 ( 5.153 -1.173 -1.357) 5.456 15.269 ( -1.585 0.595 -0.441) 1.750 15.336 ( 1.698 -0.588 -1.249) 2.188 15.382 ( -0.246 0.766 -1.340) 1.563 15.435 ( 2.498 -1.006 -0.249) 2.704 15.519 ( -0.983 -1.514 2.581) 3.149 15.602 ( 0.274 -2.582 -2.567) 3.652 15.658 ( -1.300 -0.495 1.132) 1.793 15.694 ( -1.216 -0.947 0.419) 1.597 16.310 ( -1.073 2.787 1.716) 3.444 16.465 ( 2.901 2.140 -0.988) 3.737 16.635 ( -1.706 -5.388 3.477) 6.636 16.720 ( -2.828 -3.028 -3.608) 5.494 17.026 ( -1.308 -0.954 0.396) 1.667 17.078 ( 0.495 -0.760 1.126) 1.446 17.131 ( 0.200 -0.139 0.688) 0.730 17.163 ( -0.933 -0.681 -2.277) 2.553 17.642 ( 0.440 1.280 0.826) 1.586 17.706 ( 1.832 -0.206 -0.903) 2.053 17.753 ( 0.742 0.362 0.034) 0.826 17.766 ( 0.787 0.486 -0.236) 0.954 18.046 ( -1.700 4.765 2.907) 5.835 18.183 ( 0.300 2.870 -1.096) 3.086 18.316 ( -1.616 2.502 0.343) 2.998 18.385 ( -1.349 2.065 -2.332) 3.395 18.616 ( -1.632 2.897 -1.155) 3.520 18.692 ( 0.392 0.632 -1.950) 2.087 18.738 ( 0.361 2.100 0.906) 2.316 18.832 ( 2.291 0.437 -1.084) 2.572 19.006 ( -0.612 -0.411 6.040) 6.085 19.064 ( -2.402 -0.966 -0.028) 2.590 19.633 ( -3.644 5.450 2.300) 6.948 19.744 ( -1.604 1.087 -2.290) 3.000 ======================= Grid point 63 (31/56) ======================= q-point: ( 0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 3.840 -0.181 -4.085) 5.609 0.946 ( 7.817 1.727 5.898) 9.943 1.163 ( -0.509 6.521 5.672) 8.657 1.260 ( -4.958 -1.798 -4.198) 6.741 1.376 ( -5.328 1.379 -0.826) 5.565 1.465 ( -5.429 6.864 4.266) 9.736 1.532 ( -1.811 4.357 -0.011) 4.719 1.572 ( -2.178 2.445 0.470) 3.308 1.653 ( 1.813 -0.263 3.469) 3.923 1.670 ( -3.454 1.224 2.732) 4.571 1.756 ( 2.860 -0.518 -2.814) 4.045 1.841 ( 0.320 0.563 -4.576) 4.622 1.906 ( -1.002 -0.496 -1.701) 2.036 2.024 ( -0.103 0.165 2.689) 2.696 2.038 ( -1.596 -0.006 0.441) 1.656 2.107 ( -5.692 1.942 0.262) 6.020 2.142 ( 1.536 0.353 -1.872) 2.447 2.194 ( -3.879 -0.641 1.032) 4.064 2.389 ( 0.090 0.588 4.751) 4.788 2.420 ( 4.235 -0.590 -0.717) 4.336 2.458 ( 0.430 -1.594 -1.044) 1.954 2.502 ( 0.527 1.802 -1.170) 2.212 2.598 ( -4.632 -0.189 -2.270) 5.162 2.652 ( -1.369 -0.215 0.697) 1.551 2.741 ( -0.861 5.146 0.966) 5.306 2.776 ( -3.026 3.856 0.040) 4.902 2.810 ( -0.857 2.097 -1.501) 2.718 2.922 ( -2.410 -1.908 -2.408) 3.904 3.002 ( 0.503 -1.207 1.697) 2.143 3.044 ( -1.325 -1.121 -1.044) 2.025 3.091 ( -0.296 2.765 -3.320) 4.331 3.129 ( -1.041 5.053 -0.580) 5.192 3.195 ( -2.805 -0.875 2.744) 4.021 3.231 ( -0.231 3.065 0.793) 3.174 3.306 ( 2.702 2.659 -3.574) 5.210 3.349 ( -2.311 2.776 -0.726) 3.685 3.450 ( -1.959 1.997 0.711) 2.887 3.503 ( 0.822 4.698 0.818) 4.839 3.613 ( -1.679 2.891 1.232) 3.563 3.684 ( 2.691 2.206 -0.109) 3.481 3.755 ( 0.446 3.053 -1.966) 3.659 3.764 ( 2.325 2.719 -1.296) 3.805 3.813 ( -1.081 -0.051 0.723) 1.302 3.839 ( 2.656 2.357 1.835) 3.997 3.893 ( -1.843 3.778 -2.409) 4.845 3.974 ( -1.929 1.775 0.686) 2.710 4.025 ( -1.109 -0.642 0.139) 1.289 4.031 ( -1.149 1.646 1.386) 2.439 4.143 ( 5.466 -2.173 -1.222) 6.008 4.251 ( -0.290 -1.471 -0.328) 1.535 4.279 ( 4.750 1.916 1.160) 5.252 4.327 ( 5.135 -1.383 -0.602) 5.351 4.541 ( -2.323 -1.166 -1.961) 3.256 4.560 ( -0.585 1.066 0.546) 1.333 4.628 ( -1.032 1.917 -0.256) 2.192 4.725 ( -3.403 2.953 1.890) 4.886 4.813 ( -2.533 2.168 2.710) 4.297 4.877 ( -2.565 2.835 -0.495) 3.855 4.972 ( 1.092 -1.874 -0.982) 2.381 5.039 ( -0.958 -1.944 -2.445) 3.267 5.079 ( 1.403 -0.180 0.592) 1.533 5.147 ( 0.889 -0.077 -2.499) 2.654 5.208 ( -1.817 -0.388 1.385) 2.317 5.263 ( -0.060 0.001 1.109) 1.111 5.318 ( 1.673 1.983 0.478) 2.638 5.424 ( 2.974 2.170 -0.062) 3.682 5.483 ( 0.256 1.285 -0.965) 1.628 5.502 ( 1.957 -1.104 -0.633) 2.334 5.605 ( 0.471 -1.286 1.163) 1.797 5.624 ( -0.710 -2.411 0.005) 2.514 5.651 ( -0.400 -1.912 0.408) 1.995 5.659 ( -1.672 -2.815 1.676) 3.678 5.745 ( 1.031 -0.777 0.060) 1.293 5.779 ( -0.614 -2.873 2.388) 3.786 5.825 ( -1.057 -2.488 -1.712) 3.200 5.891 ( 0.940 -3.761 -2.566) 4.649 5.897 ( -0.007 2.065 0.063) 2.066 5.985 ( -0.220 -0.728 0.602) 0.969 6.028 ( 0.108 -1.407 1.581) 2.120 6.120 ( 0.315 -4.253 -0.722) 4.325 6.236 ( 2.452 4.687 2.703) 5.941 6.304 ( 0.224 -0.672 -0.793) 1.064 6.346 ( -2.511 -0.644 -1.297) 2.898 6.461 ( -0.779 1.251 -1.587) 2.166 6.527 ( 2.145 0.267 0.832) 2.316 6.656 ( -0.072 -0.166 1.056) 1.072 6.727 ( 3.935 1.383 -0.230) 4.177 6.817 ( 1.472 -0.596 1.646) 2.287 6.922 ( 1.005 3.214 0.109) 3.369 6.991 ( -1.798 1.435 0.417) 2.338 7.037 ( -0.112 0.787 -0.616) 1.006 7.116 ( 0.144 4.168 -0.521) 4.203 7.206 ( 4.296 -2.355 -0.380) 4.914 7.252 ( 3.165 -3.177 -0.019) 4.484 7.366 ( 3.476 4.524 -0.186) 5.708 7.534 ( 2.850 -5.350 0.596) 6.091 7.586 ( -5.918 5.707 -0.240) 8.225 7.712 ( -3.309 -5.123 -0.173) 6.102 7.785 ( 9.131 -4.917 0.273) 10.374 7.944 ( 1.842 -2.051 -0.376) 2.783 9.072 ( -1.663 -2.009 -0.289) 2.624 9.106 ( -2.197 -1.147 1.107) 2.715 9.146 ( -3.453 -2.228 -1.040) 4.239 9.219 ( -4.559 -2.209 0.149) 5.068 12.952 ( -0.874 -1.509 0.059) 1.745 12.977 ( -1.833 -1.373 0.040) 2.291 13.228 ( 0.328 -0.505 -0.184) 0.630 13.229 ( 0.370 -0.525 -0.002) 0.643 14.022 ( 0.041 -0.577 -0.392) 0.699 14.047 ( -0.797 -1.051 -0.283) 1.348 14.215 ( 1.709 0.205 1.470) 2.264 14.263 ( 4.015 -1.008 -1.373) 4.361 15.249 ( -0.544 1.533 0.607) 1.736 15.363 ( 1.190 -1.129 -0.842) 1.844 15.375 ( 0.879 1.721 -1.540) 2.471 15.479 ( 1.608 -2.857 0.105) 3.280 15.511 ( -0.833 -0.549 1.884) 2.132 15.580 ( -0.855 -1.640 -2.592) 3.184 15.644 ( -0.560 -0.605 0.776) 1.133 15.668 ( -1.565 -0.794 0.515) 1.829 16.308 ( -0.163 2.086 1.945) 2.856 16.517 ( 2.534 1.042 -2.387) 3.634 16.603 ( -2.718 -5.173 2.496) 6.354 16.655 ( -1.911 -1.968 -0.930) 2.897 17.011 ( -0.319 -1.032 0.595) 1.233 17.086 ( -0.420 -1.279 0.684) 1.510 17.126 ( -0.407 -0.487 -0.671) 0.924 17.138 ( -0.569 -0.473 -0.830) 1.112 17.662 ( 0.839 1.713 0.913) 2.115 17.735 ( 1.488 0.536 -1.202) 1.986 17.767 ( 0.511 -0.072 -0.018) 0.517 17.783 ( 1.193 0.568 -0.667) 1.480 18.032 ( -1.547 4.867 3.259) 6.058 18.184 ( 0.681 3.197 -1.583) 3.632 18.278 ( -2.430 2.326 1.033) 3.519 18.344 ( -1.268 2.094 -1.664) 2.960 18.585 ( -0.664 2.954 -1.011) 3.192 18.667 ( -0.777 0.023 -2.827) 2.932 18.763 ( 0.978 3.336 0.584) 3.525 18.860 ( 1.380 0.467 -1.912) 2.404 19.030 ( -0.677 -0.521 2.147) 2.311 19.035 ( -1.152 0.850 5.346) 5.534 19.577 ( -3.203 5.400 1.960) 6.577 19.691 ( -1.581 1.024 -3.127) 3.651 ======================= Grid point 64 (32/56) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 1.790 -1.527 -1.793) 2.959 1.067 ( -1.868 -3.419 0.518) 3.931 1.145 ( -3.942 0.398 -1.357) 4.188 1.159 ( -3.947 1.605 0.840) 4.343 1.302 ( 7.059 0.562 1.759) 7.296 1.348 ( -4.288 4.404 3.914) 7.286 1.506 ( -2.989 -0.292 -4.290) 5.236 1.536 ( -1.043 5.116 8.359) 9.856 1.676 ( 0.540 -2.633 0.394) 2.717 1.734 ( 2.290 1.284 -0.584) 2.689 1.818 ( -1.759 -3.452 0.200) 3.880 1.837 ( 5.617 -0.454 0.428) 5.652 1.868 ( 2.202 -2.371 -3.246) 4.583 1.942 ( -3.930 -2.048 -2.549) 5.113 2.001 ( -2.965 -2.309 2.745) 4.654 2.088 ( 3.067 2.409 -0.420) 3.922 2.138 ( -1.123 4.822 -2.327) 5.470 2.193 ( 2.274 -3.289 0.312) 4.011 2.342 ( -4.316 1.550 -0.063) 4.586 2.413 ( -2.657 -3.978 -1.185) 4.929 2.480 ( 0.190 2.205 -2.597) 3.412 2.527 ( -0.695 -2.140 2.377) 3.273 2.570 ( 4.613 -0.213 -1.495) 4.854 2.651 ( -1.350 -1.928 2.262) 3.265 2.698 ( -0.530 5.673 -1.587) 5.915 2.759 ( 0.354 0.885 1.285) 1.600 2.819 ( 0.823 5.818 3.809) 7.002 2.896 ( 1.558 -0.819 -2.418) 2.991 2.985 ( -0.651 -0.680 -4.773) 4.865 3.011 ( -1.997 -2.215 -2.355) 3.800 3.080 ( -3.737 7.996 2.222) 9.101 3.099 ( 1.842 6.324 -0.288) 6.593 3.216 ( 3.984 2.694 3.569) 5.989 3.275 ( 2.303 0.665 -0.970) 2.586 3.313 ( 0.708 3.370 1.312) 3.685 3.344 ( 1.858 3.212 -1.629) 4.052 3.422 ( -0.404 1.753 -1.036) 2.076 3.523 ( 0.565 4.787 -4.072) 6.310 3.590 ( -1.550 -1.108 4.629) 5.006 3.694 ( -2.703 5.323 3.198) 6.773 3.745 ( 0.662 3.393 -1.608) 3.813 3.782 ( -0.709 0.791 -0.798) 1.329 3.794 ( 0.399 1.601 -1.726) 2.388 3.862 ( 0.124 3.316 -1.433) 3.614 3.922 ( 3.039 3.097 0.999) 4.453 3.957 ( 0.045 1.000 1.700) 1.973 3.996 ( -1.389 1.833 -1.644) 2.827 4.024 ( 0.088 0.990 1.215) 1.570 4.206 ( -0.056 -0.411 0.028) 0.416 4.240 ( 0.819 -2.217 -2.015) 3.106 4.357 ( 0.863 -1.743 3.836) 4.301 4.437 ( 3.966 -1.086 0.705) 4.171 4.478 ( -2.013 2.107 -1.785) 3.417 4.554 ( -2.910 4.410 -2.887) 6.021 4.580 ( -0.016 4.547 1.456) 4.774 4.668 ( 1.027 4.367 -1.502) 4.731 4.785 ( -2.170 0.220 4.575) 5.068 4.877 ( 0.619 1.204 1.775) 2.233 4.985 ( 1.872 0.258 -3.728) 4.179 5.011 ( -0.122 -1.554 -2.817) 3.220 5.091 ( -2.336 0.029 0.386) 2.368 5.161 ( 2.915 -2.358 -2.813) 4.687 5.192 ( -1.102 -0.584 3.049) 3.294 5.267 ( -0.336 -1.745 0.787) 1.944 5.362 ( 1.386 3.353 2.186) 4.236 5.438 ( -2.124 2.937 0.869) 3.727 5.485 ( 2.567 0.223 -2.296) 3.451 5.565 ( 0.448 -2.310 0.141) 2.357 5.588 ( -1.972 -1.808 -1.946) 3.308 5.593 ( -0.921 -1.770 -0.558) 2.071 5.635 ( 0.151 -1.697 1.565) 2.313 5.662 ( -0.183 -1.141 2.957) 3.175 5.746 ( -0.956 0.151 0.383) 1.041 5.772 ( -1.428 -3.521 -0.077) 3.800 5.820 ( 1.466 -1.871 -0.486) 2.426 5.879 ( -0.288 -2.327 -1.796) 2.954 5.916 ( 2.016 0.135 0.449) 2.069 5.961 ( -0.472 -0.052 -0.037) 0.477 6.056 ( -0.351 -3.091 1.914) 3.652 6.133 ( 0.367 -6.278 -0.396) 6.301 6.263 ( -2.304 1.996 -0.056) 3.049 6.299 ( 1.188 1.370 1.957) 2.668 6.322 ( 0.474 0.060 -1.134) 1.231 6.434 ( -0.580 1.866 -2.450) 3.133 6.571 ( 1.762 0.509 1.101) 2.139 6.633 ( -2.045 -1.255 -0.338) 2.423 6.780 ( -0.181 0.148 1.110) 1.134 6.832 ( 0.021 -0.528 0.386) 0.655 6.941 ( -1.560 4.013 0.454) 4.329 6.963 ( 1.634 4.517 0.592) 4.839 7.054 ( 2.332 3.867 -0.680) 4.566 7.074 ( -2.166 3.539 -0.583) 4.190 7.273 ( 0.364 -3.836 -0.206) 3.858 7.282 ( -0.602 -2.438 -0.479) 2.557 7.458 ( -2.615 6.614 -0.031) 7.112 7.468 ( 2.684 4.984 -0.279) 5.668 7.587 ( -0.044 -5.186 1.428) 5.379 7.654 ( -0.118 -6.184 -1.097) 6.282 7.915 ( -0.514 -3.589 0.442) 3.653 7.936 ( 0.734 -4.513 -0.329) 4.584 9.059 ( 0.489 -2.252 0.316) 2.326 9.081 ( -1.722 -2.105 -0.736) 2.817 9.121 ( 2.375 -3.037 0.872) 3.953 9.151 ( -1.024 -3.083 -0.458) 3.280 12.948 ( 0.288 -1.713 0.146) 1.744 12.954 ( -0.293 -1.524 0.054) 1.552 13.230 ( -0.146 -0.400 -0.174) 0.460 13.232 ( 0.074 -0.464 -0.178) 0.503 14.026 ( 0.488 -0.909 -0.243) 1.060 14.035 ( -0.160 -1.001 -0.452) 1.110 14.235 ( -0.744 0.723 1.478) 1.806 14.308 ( 1.160 -1.107 -0.996) 1.888 15.253 ( 0.256 1.867 1.437) 2.369 15.363 ( 0.815 1.146 -3.406) 3.685 15.403 ( 1.420 0.087 1.399) 1.995 15.471 ( -1.801 -2.634 0.348) 3.210 15.518 ( -1.216 -1.530 0.649) 2.059 15.557 ( 1.346 -0.585 -2.273) 2.705 15.645 ( -0.014 -0.442 0.271) 0.519 15.650 ( -0.185 -1.267 0.694) 1.456 16.326 ( 0.326 1.325 2.854) 3.163 16.489 ( -1.969 -0.858 -4.050) 4.584 16.600 ( -1.103 -3.042 2.086) 3.850 16.653 ( 2.759 -2.104 0.402) 3.493 17.019 ( 0.334 -1.248 1.306) 1.837 17.068 ( -1.250 -1.436 -0.451) 1.957 17.115 ( -0.410 -0.340 -0.399) 0.665 17.137 ( 1.198 -0.300 -0.814) 1.479 17.676 ( -0.224 1.774 1.021) 2.059 17.745 ( 0.487 1.098 -1.722) 2.100 17.770 ( -0.313 -0.206 0.213) 0.430 17.793 ( 0.105 0.294 -0.811) 0.869 18.029 ( -0.886 4.872 3.539) 6.087 18.191 ( 1.231 2.863 -2.348) 3.902 18.243 ( -1.638 2.700 1.462) 3.480 18.331 ( 1.166 2.219 -1.256) 2.803 18.580 ( 0.587 2.905 -0.491) 3.004 18.640 ( -0.027 0.790 -3.334) 3.426 18.775 ( -0.061 2.754 0.704) 2.843 18.857 ( -0.307 0.169 -2.430) 2.456 19.032 ( -1.296 2.012 3.969) 4.635 19.049 ( -0.395 0.140 3.759) 3.783 19.541 ( -1.231 5.331 1.243) 5.611 19.666 ( 1.227 0.724 -3.107) 3.419 ======================= Grid point 65 (33/56) ======================= q-point: (-0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -10.611 4.155 1.122) 11.451 0.996 ( -4.866 5.308 3.990) 8.232 1.147 ( 2.311 5.054 -3.044) 6.336 1.187 ( -1.187 -1.443 7.107) 7.349 1.347 ( 4.481 -1.060 -1.427) 4.821 1.445 ( 1.557 -0.216 -5.970) 6.173 1.471 ( 1.832 -0.766 3.402) 3.939 1.631 ( 7.274 2.392 4.661) 8.964 1.661 ( -2.049 -0.567 3.261) 3.892 1.723 ( -2.409 1.089 0.043) 2.644 1.759 ( 0.010 5.624 -3.316) 6.529 1.873 ( -3.138 0.794 0.514) 3.277 1.911 ( 2.216 0.976 -3.240) 4.044 1.982 ( 5.919 5.774 1.336) 8.376 2.037 ( 3.338 -2.026 0.685) 3.964 2.082 ( -1.790 6.046 -5.007) 8.051 2.195 ( 6.524 -2.498 0.238) 6.990 2.225 ( 0.352 -0.672 4.280) 4.346 2.271 ( -1.563 -1.287 -0.313) 2.049 2.356 ( -3.552 -3.872 1.274) 5.406 2.437 ( -1.736 3.189 -2.496) 4.406 2.541 ( -0.347 0.024 -0.069) 0.355 2.613 ( 0.858 2.567 2.688) 3.815 2.649 ( 0.823 -1.235 2.259) 2.703 2.723 ( 3.089 1.353 -3.994) 5.227 2.761 ( 0.362 1.457 -0.966) 1.785 2.898 ( 1.038 2.683 -0.258) 2.889 2.924 ( 2.554 -3.993 -0.438) 4.760 2.953 ( 1.024 0.413 -2.146) 2.413 2.996 ( 3.835 -0.671 0.158) 3.896 3.051 ( 1.674 4.988 -1.450) 5.458 3.138 ( 1.392 3.239 0.193) 3.531 3.284 ( 0.067 3.253 0.037) 3.254 3.327 ( 4.143 0.528 1.641) 4.487 3.356 ( 1.523 3.361 -0.995) 3.821 3.383 ( 2.653 3.426 -2.018) 4.780 3.436 ( 2.396 2.304 2.193) 3.982 3.490 ( 0.281 6.230 -5.351) 8.218 3.567 ( -3.820 -2.249 4.107) 6.043 3.678 ( -1.801 4.513 3.361) 5.908 3.728 ( -1.009 2.970 -1.277) 3.386 3.743 ( -2.199 3.102 -1.628) 4.136 3.807 ( 2.084 0.944 -1.849) 2.942 3.865 ( 0.238 0.637 0.117) 0.690 3.939 ( -0.318 2.127 -1.316) 2.521 3.971 ( 0.519 2.569 -0.141) 2.625 4.009 ( 2.257 1.851 2.052) 3.568 4.046 ( 0.719 0.146 1.022) 1.258 4.166 ( -2.287 -2.072 -2.094) 3.730 4.225 ( -2.334 1.813 0.159) 2.959 4.338 ( -4.704 -4.538 -0.467) 6.553 4.386 ( -3.178 0.287 2.871) 4.293 4.457 ( -1.046 1.589 -3.173) 3.699 4.559 ( 3.328 -0.503 -0.088) 3.367 4.628 ( 2.156 1.988 -0.187) 2.938 4.734 ( 2.488 2.138 2.058) 3.873 4.793 ( 2.583 1.971 1.358) 3.521 4.914 ( 2.539 2.952 1.181) 4.069 4.995 ( -1.375 -1.863 -1.919) 3.007 4.998 ( 1.092 -0.626 -1.652) 2.077 5.044 ( 0.029 1.544 -0.867) 1.771 5.180 ( 0.839 0.388 -1.052) 1.400 5.210 ( 0.772 -2.150 1.066) 2.520 5.254 ( -1.265 -2.056 0.414) 2.449 5.370 ( -1.867 3.940 1.652) 4.662 5.394 ( -2.209 2.320 -0.795) 3.301 5.467 ( -2.970 0.076 -0.960) 3.123 5.527 ( -0.900 -1.284 -0.250) 1.588 5.585 ( -1.159 -1.993 -0.198) 2.314 5.596 ( 2.008 -1.504 1.037) 2.715 5.639 ( -0.143 -1.554 1.004) 1.856 5.695 ( 0.282 -2.598 2.108) 3.358 5.722 ( 0.040 -1.178 -1.465) 1.880 5.754 ( -0.956 -1.654 1.386) 2.361 5.843 ( 1.135 -2.102 -1.358) 2.748 5.869 ( 0.194 -2.109 -0.769) 2.253 5.952 ( 1.152 -0.189 -0.387) 1.230 5.995 ( 3.359 0.001 0.648) 3.421 6.039 ( -1.988 -1.434 2.411) 3.438 6.096 ( -3.294 -4.881 -1.488) 6.073 6.224 ( -1.835 1.917 1.200) 2.913 6.321 ( -1.186 1.421 0.135) 1.856 6.336 ( 2.342 -1.475 0.197) 2.774 6.413 ( -0.018 2.344 -2.412) 3.363 6.576 ( -2.496 0.133 0.363) 2.526 6.612 ( 0.518 -2.121 1.045) 2.420 6.743 ( -3.221 1.718 0.271) 3.661 6.800 ( -3.531 0.125 0.716) 3.605 6.932 ( 0.499 3.317 0.033) 3.354 7.016 ( 2.517 1.638 0.713) 3.087 7.040 ( -1.547 -0.530 -0.291) 1.661 7.097 ( 0.288 5.375 -0.393) 5.397 7.201 ( -3.510 -1.968 -0.478) 4.053 7.241 ( -3.830 -2.635 -0.094) 4.650 7.369 ( -2.945 4.638 -0.123) 5.496 7.537 ( -3.346 -5.956 0.622) 6.860 7.586 ( 5.815 5.900 -0.233) 8.287 7.705 ( 2.900 -4.825 -0.206) 5.633 7.789 ( -8.333 -5.349 0.285) 9.906 7.949 ( -1.718 -2.098 -0.355) 2.735 9.071 ( 1.257 -1.889 -0.275) 2.286 9.101 ( 3.228 -1.694 0.832) 3.739 9.156 ( 2.443 -2.087 -0.805) 3.312 9.219 ( 5.116 -2.224 0.170) 5.581 12.955 ( 0.830 -1.766 0.063) 1.952 12.975 ( 1.849 -1.304 0.039) 2.263 13.221 ( -0.603 -0.255 -0.115) 0.665 13.231 ( -0.113 -0.672 -0.073) 0.685 14.033 ( 0.583 -0.912 -0.765) 1.326 14.040 ( 0.731 -1.091 0.114) 1.318 14.205 ( -3.043 0.704 1.011) 3.283 14.289 ( -2.493 -1.660 -0.996) 3.156 15.273 ( 0.810 1.376 1.440) 2.150 15.357 ( 0.870 1.899 -3.939) 4.459 15.429 ( -2.058 -2.778 -1.147) 3.642 15.441 ( 1.002 0.304 2.733) 2.926 15.479 ( -2.117 -0.840 0.084) 2.279 15.582 ( 1.584 -1.716 -1.428) 2.737 15.653 ( 0.705 -0.913 0.583) 1.292 15.665 ( 1.060 -1.099 0.411) 1.582 16.346 ( -0.599 1.162 3.559) 3.791 16.436 ( -0.826 0.666 -3.176) 3.349 16.590 ( -0.318 -3.444 0.936) 3.583 16.728 ( 4.048 -3.468 -0.065) 5.331 17.034 ( 0.017 -1.066 1.647) 1.962 17.041 ( -0.691 -0.702 -0.712) 1.215 17.110 ( 0.145 0.003 -0.594) 0.612 17.169 ( 2.222 -0.768 -0.584) 2.423 17.666 ( -1.325 1.402 1.204) 2.274 17.734 ( -0.398 0.938 -1.921) 2.175 17.756 ( -1.251 -0.277 0.252) 1.306 17.778 ( -0.940 0.470 -0.603) 1.212 18.039 ( -0.344 4.786 3.480) 5.927 18.193 ( 0.141 1.297 -1.515) 2.000 18.248 ( 1.738 4.490 0.023) 4.815 18.369 ( 3.066 2.119 -1.227) 3.924 18.600 ( 1.605 2.839 -0.122) 3.264 18.626 ( 0.722 1.604 -3.226) 3.674 18.773 ( -0.820 1.748 1.554) 2.479 18.825 ( -1.261 0.342 -2.073) 2.450 19.016 ( -2.517 1.575 4.050) 5.022 19.075 ( 0.786 0.363 2.794) 2.925 19.552 ( 1.679 6.052 1.338) 6.422 19.695 ( 3.230 0.712 -2.631) 4.226 ======================= Grid point 66 (34/56) ======================= q-point: (-0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 1.706 12.306 5.049) 13.410 0.944 ( -4.268 11.412 9.849) 15.667 1.186 ( 5.086 4.846 -7.087) 9.979 1.268 ( 5.797 1.391 7.282) 9.411 1.395 ( -3.891 7.184 2.079) 8.430 1.466 ( 7.275 4.649 -3.945) 9.492 1.506 ( -0.086 -0.759 1.449) 1.638 1.579 ( -7.976 4.199 -2.555) 9.369 1.691 ( 0.279 3.035 3.817) 4.884 1.772 ( 4.209 4.549 -4.028) 7.391 1.796 ( 3.757 2.702 2.542) 5.280 1.833 ( -1.686 5.840 2.920) 6.744 1.921 ( -2.028 6.320 0.937) 6.704 1.984 ( -1.634 6.348 -1.508) 6.726 2.009 ( -2.113 8.532 -3.666) 9.523 2.109 ( -1.183 2.639 2.431) 3.778 2.237 ( 0.746 -2.254 -1.423) 2.769 2.254 ( 0.165 -3.314 1.016) 3.470 2.286 ( -0.790 2.523 5.216) 5.848 2.397 ( 4.445 -3.361 0.725) 5.620 2.411 ( 2.740 1.315 -3.118) 4.354 2.526 ( 0.021 1.894 2.183) 2.890 2.656 ( 1.352 2.546 0.288) 2.897 2.691 ( 0.921 2.552 3.907) 4.757 2.736 ( 1.300 1.373 -2.520) 3.150 2.781 ( 1.900 -0.664 -0.740) 2.144 2.853 ( -1.034 -0.089 -1.308) 1.670 2.946 ( 0.734 2.465 -3.007) 3.957 3.035 ( 3.539 -4.291 -0.859) 5.628 3.104 ( 6.204 -4.595 0.428) 7.732 3.115 ( 4.356 0.058 -3.826) 5.798 3.151 ( 0.674 0.119 -0.627) 0.929 3.265 ( -0.993 4.318 -2.933) 5.314 3.372 ( 1.906 1.605 -3.599) 4.377 3.385 ( 1.571 1.332 0.521) 2.125 3.403 ( -1.132 2.671 0.678) 2.979 3.485 ( 1.635 8.009 -0.774) 8.211 3.492 ( 0.022 -0.429 2.047) 2.092 3.566 ( 3.168 0.369 1.851) 3.688 3.652 ( -1.375 1.429 1.363) 2.406 3.688 ( -1.994 1.311 -2.074) 3.161 3.701 ( -0.742 2.342 -2.271) 3.346 3.817 ( -1.475 -0.549 1.314) 2.050 3.872 ( 1.006 2.893 -1.979) 3.647 3.943 ( 1.401 2.664 0.269) 3.022 3.974 ( -2.728 -1.755 1.707) 3.665 4.009 ( -2.809 -1.461 -0.855) 3.280 4.055 ( 1.065 1.499 0.853) 2.027 4.126 ( 0.041 -1.063 -2.369) 2.597 4.209 ( 0.420 3.323 -0.364) 3.369 4.236 ( -3.213 -3.111 -1.627) 4.759 4.318 ( -4.359 -2.607 0.369) 5.092 4.471 ( 2.299 -0.834 0.088) 2.447 4.600 ( 0.807 -2.114 0.870) 2.425 4.645 ( 0.807 -1.252 -0.806) 1.693 4.757 ( -0.880 -0.660 0.415) 1.175 4.849 ( 0.508 4.364 2.395) 5.004 4.947 ( 1.070 0.430 -1.219) 1.678 5.003 ( 2.523 1.092 -0.847) 2.877 5.022 ( 2.359 -0.682 0.190) 2.463 5.066 ( 1.503 3.271 -1.028) 3.744 5.177 ( -1.711 -0.748 -0.153) 1.874 5.217 ( 0.187 -0.973 0.607) 1.162 5.251 ( 1.455 -0.206 -0.561) 1.573 5.326 ( -2.816 1.386 0.500) 3.178 5.353 ( -0.592 2.190 -2.140) 3.118 5.431 ( -0.377 -0.666 1.233) 1.451 5.528 ( 0.392 -1.386 1.364) 1.983 5.552 ( -1.133 -1.657 0.358) 2.039 5.628 ( -1.068 -2.037 0.166) 2.306 5.642 ( 0.660 -0.641 1.620) 1.863 5.695 ( 0.135 -2.091 -0.118) 2.099 5.731 ( -0.009 -4.763 0.497) 4.789 5.744 ( -0.537 -1.220 0.195) 1.347 5.841 ( 0.235 -2.303 -2.093) 3.121 5.880 ( 0.627 -1.865 -0.007) 1.967 5.961 ( -0.279 1.047 -1.761) 2.068 5.990 ( -3.161 -1.533 -1.283) 3.740 6.057 ( 1.487 -1.058 1.809) 2.570 6.064 ( 0.881 -1.349 2.897) 3.315 6.201 ( -1.428 2.529 1.772) 3.402 6.282 ( -1.805 1.055 -1.109) 2.367 6.397 ( -0.518 3.608 -1.091) 3.805 6.400 ( 4.258 -0.506 0.139) 4.290 6.513 ( -3.937 1.650 0.740) 4.332 6.625 ( -0.401 -2.368 2.476) 3.449 6.676 ( -2.735 2.309 -0.950) 3.704 6.749 ( -1.672 -1.807 0.851) 2.604 6.922 ( -3.036 1.421 0.829) 3.453 6.958 ( -4.577 -0.496 -1.201) 4.758 7.045 ( -2.154 -0.013 0.163) 2.161 7.065 ( 0.196 0.460 0.422) 0.654 7.189 ( 1.017 -0.528 -0.895) 1.454 7.195 ( -0.184 -5.079 0.634) 5.121 7.333 ( -0.391 0.516 -0.582) 0.871 7.473 ( -6.194 -5.149 0.246) 8.058 7.635 ( 0.302 1.492 0.327) 1.557 7.699 ( 3.818 1.438 -0.140) 4.083 7.770 ( 0.923 -2.869 0.475) 3.051 7.877 ( -4.479 -0.247 -1.142) 4.629 9.114 ( 2.756 -0.828 -0.018) 2.878 9.171 ( 2.306 -1.591 0.869) 2.933 9.209 ( 3.529 0.506 -0.995) 3.701 9.294 ( 1.965 -0.582 -0.057) 2.051 12.983 ( 1.834 -1.262 0.018) 2.226 13.014 ( 1.780 -1.200 -0.192) 2.155 13.208 ( -0.583 -0.244 0.128) 0.645 13.228 ( -0.189 -0.914 -0.051) 0.935 14.046 ( 1.432 -0.676 -0.956) 1.849 14.059 ( 0.999 -1.144 0.635) 1.646 14.141 ( -3.440 0.246 0.123) 3.451 14.207 ( -4.927 -1.665 -0.662) 5.243 15.298 ( 1.204 0.167 -0.234) 1.238 15.352 ( 0.357 2.181 -2.005) 2.984 15.380 ( -1.431 -2.033 -2.460) 3.497 15.435 ( -1.854 0.445 0.452) 1.960 15.486 ( 0.904 -1.473 2.762) 3.258 15.598 ( 1.069 -2.222 -1.647) 2.965 15.669 ( 0.362 -0.975 0.723) 1.267 15.691 ( 1.089 -1.272 0.400) 1.721 16.343 ( -1.650 1.577 2.955) 3.734 16.418 ( 0.472 2.707 -2.059) 3.434 16.604 ( 0.869 -4.823 1.492) 5.123 16.789 ( 2.334 -4.579 -1.802) 5.447 17.024 ( -0.094 0.077 0.198) 0.232 17.058 ( 0.690 -0.785 1.666) 1.967 17.107 ( -0.136 0.330 -0.540) 0.647 17.202 ( 1.348 -1.544 -1.398) 2.481 17.648 ( -1.072 0.828 1.135) 1.767 17.707 ( -0.985 0.240 -1.967) 2.213 17.737 ( -0.652 0.343 0.886) 1.152 17.759 ( -0.603 0.629 -0.331) 0.932 18.053 ( -0.432 4.823 3.066) 5.731 18.187 ( 0.128 1.597 -0.925) 1.850 18.294 ( 2.669 4.055 -0.768) 4.915 18.414 ( 2.022 1.746 -1.969) 3.319 18.625 ( 1.202 2.616 -2.127) 3.579 18.643 ( 2.422 1.801 -0.336) 3.037 18.762 ( -1.343 0.903 1.731) 2.370 18.795 ( -0.568 0.620 -0.989) 1.299 18.995 ( -2.101 0.880 4.160) 4.743 19.107 ( 0.896 -1.246 1.116) 1.898 19.617 ( 3.268 5.959 2.099) 7.113 19.743 ( 2.825 0.957 -2.107) 3.652 ======================= Grid point 67 (35/56) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -3.340 11.147 5.147) 12.724 1.204 ( 3.330 6.345 1.900) 7.413 1.370 ( -0.842 -0.386 3.024) 3.162 1.395 ( 3.188 -2.583 -1.899) 4.522 1.469 ( -1.215 6.837 -0.208) 6.947 1.502 ( 1.182 2.205 0.465) 2.545 1.536 ( 1.422 2.849 2.361) 3.964 1.666 ( 0.489 -5.241 -0.066) 5.265 1.747 ( -0.872 3.526 -2.376) 4.341 1.808 ( 0.410 -1.802 -2.948) 3.479 1.877 ( 0.876 4.078 -0.124) 4.173 1.910 ( -5.166 1.572 0.632) 5.437 2.046 ( -1.041 4.416 -0.303) 4.547 2.070 ( 3.238 2.807 1.543) 4.555 2.095 ( -2.462 6.012 -0.396) 6.509 2.192 ( -0.199 -2.630 0.604) 2.705 2.249 ( -2.323 2.665 4.398) 5.642 2.278 ( 1.930 4.065 4.407) 6.298 2.330 ( -0.545 -1.602 2.091) 2.690 2.375 ( 1.117 -2.570 1.002) 2.976 2.492 ( 0.620 2.682 0.319) 2.771 2.556 ( 0.456 -1.165 -0.819) 1.495 2.662 ( 0.729 1.191 -1.226) 1.858 2.726 ( -1.422 -1.352 -2.315) 3.035 2.809 ( 0.220 1.062 3.151) 3.333 2.856 ( 1.853 -1.031 1.591) 2.651 2.895 ( 2.607 3.896 0.728) 4.744 2.947 ( 0.957 -2.532 1.612) 3.150 2.994 ( 2.580 0.495 -3.137) 4.092 3.057 ( -0.711 -2.820 -1.925) 3.487 3.119 ( -4.685 1.319 0.236) 4.873 3.167 ( -2.106 -1.898 -1.868) 3.395 3.256 ( -2.231 1.121 -3.019) 3.918 3.335 ( 3.929 -2.009 -4.763) 6.493 3.362 ( -1.585 0.829 -2.785) 3.310 3.402 ( -1.389 -1.472 -2.328) 3.085 3.514 ( 1.000 2.795 2.996) 4.218 3.586 ( 0.977 -3.270 1.192) 3.615 3.654 ( 0.882 1.804 -0.502) 2.070 3.668 ( 0.714 0.190 -1.667) 1.824 3.715 ( -2.189 2.905 0.191) 3.642 3.749 ( -0.636 1.574 0.636) 1.813 3.805 ( -0.081 5.144 2.020) 5.527 3.873 ( -1.410 0.957 1.216) 2.094 3.918 ( 2.575 -0.473 -2.487) 3.611 3.937 ( 0.688 -2.481 -1.207) 2.844 4.036 ( -0.265 -1.540 0.793) 1.752 4.058 ( -1.337 -2.197 -0.197) 2.579 4.119 ( 1.373 3.605 1.490) 4.136 4.166 ( -1.403 0.589 0.819) 1.728 4.236 ( -0.242 3.216 -3.027) 4.423 4.297 ( 0.538 0.141 -2.402) 2.465 4.506 ( 1.028 0.971 1.174) 1.838 4.565 ( -0.415 -3.245 2.104) 3.890 4.615 ( 0.317 0.230 -2.491) 2.522 4.673 ( -0.210 -3.710 -2.039) 4.239 4.933 ( -1.913 2.882 1.699) 3.854 4.976 ( -1.674 -1.551 1.215) 2.586 5.027 ( 2.079 1.093 -0.682) 2.446 5.045 ( 2.014 -1.055 -0.654) 2.365 5.119 ( -0.324 1.491 -1.491) 2.134 5.126 ( -0.849 0.418 -1.484) 1.760 5.240 ( 0.961 0.763 1.261) 1.760 5.265 ( 1.041 -0.998 0.017) 1.442 5.317 ( -0.719 1.478 -1.693) 2.360 5.351 ( -0.866 -1.094 -1.965) 2.410 5.450 ( 0.241 1.610 2.882) 3.310 5.490 ( 0.455 -1.867 2.847) 3.435 5.528 ( -0.470 0.000 0.481) 0.673 5.573 ( 0.862 -2.749 0.635) 2.950 5.621 ( -0.757 -1.359 0.331) 1.591 5.633 ( -0.079 -2.410 -0.316) 2.432 5.683 ( 0.717 0.321 -1.808) 1.971 5.706 ( 0.103 -1.259 -1.604) 2.042 5.813 ( 0.057 -0.146 0.672) 0.690 5.836 ( -0.574 -1.980 0.641) 2.159 5.917 ( -0.869 0.292 -2.044) 2.240 5.931 ( -0.641 -0.534 -2.826) 2.947 6.068 ( -0.095 -0.095 3.350) 3.353 6.083 ( 0.211 -1.222 3.538) 3.749 6.263 ( 0.087 2.719 1.132) 2.947 6.290 ( 0.824 0.650 -0.025) 1.050 6.449 ( 0.191 0.468 0.515) 0.721 6.472 ( -3.263 -1.620 0.102) 3.644 6.553 ( 4.721 3.275 2.649) 6.327 6.621 ( 0.549 0.307 1.986) 2.083 6.675 ( 0.390 2.285 -1.214) 2.617 6.723 ( -1.551 1.121 -0.498) 1.977 6.848 ( -1.264 1.253 -1.063) 2.073 6.871 ( -0.651 -1.071 -1.969) 2.334 7.024 ( -0.658 -3.556 1.496) 3.914 7.069 ( 0.826 -6.423 -0.309) 6.484 7.085 ( 0.067 0.032 0.105) 0.128 7.095 ( 0.396 -1.203 -0.288) 1.298 7.309 ( -0.252 0.965 0.391) 1.072 7.336 ( 0.447 -1.490 -0.704) 1.707 7.730 ( -0.909 1.118 0.794) 1.645 7.752 ( -1.071 -1.009 0.438) 1.535 7.770 ( 0.592 1.641 -0.318) 1.773 7.797 ( 1.189 -0.830 -0.798) 1.655 9.153 ( 0.263 0.219 0.340) 0.482 9.163 ( -0.249 -0.663 0.000) 0.708 9.292 ( 0.461 0.725 -0.070) 0.862 9.299 ( -0.476 0.037 -0.308) 0.568 12.997 ( -0.051 -0.052 0.089) 0.115 13.006 ( 0.113 -0.829 -0.262) 0.876 13.201 ( 0.100 -0.011 0.121) 0.158 13.206 ( -0.033 -0.544 -0.080) 0.551 14.063 ( -0.562 0.393 -0.057) 0.688 14.076 ( 2.557 -0.709 -0.654) 2.733 14.096 ( -1.094 -0.415 0.109) 1.175 14.098 ( -0.961 -0.537 0.016) 1.101 15.299 ( -0.178 -0.043 -1.040) 1.056 15.309 ( 0.000 -0.738 -1.370) 1.556 15.405 ( 0.708 0.770 -1.205) 1.596 15.412 ( -0.625 0.075 -1.026) 1.204 15.503 ( 0.265 1.086 0.976) 1.484 15.547 ( 0.591 -2.637 -1.515) 3.098 15.664 ( -0.414 0.116 1.475) 1.537 15.678 ( -0.148 -1.108 1.263) 1.687 16.398 ( -0.749 4.264 2.824) 5.169 16.499 ( 0.964 -3.265 1.853) 3.876 16.536 ( -0.462 3.578 -0.592) 3.656 16.666 ( -0.258 -6.445 -2.738) 7.008 17.037 ( 0.055 0.425 0.278) 0.511 17.050 ( 0.031 -0.782 0.217) 0.812 17.127 ( 0.324 0.985 -0.267) 1.071 17.158 ( -0.245 -1.855 -1.349) 2.307 17.666 ( -0.119 1.403 0.239) 1.428 17.686 ( 0.110 -0.384 -0.674) 0.783 17.750 ( 0.214 0.501 0.529) 0.759 17.759 ( 0.210 -0.215 0.045) 0.304 18.147 ( -0.969 3.451 2.703) 4.490 18.196 ( -0.466 -1.043 1.868) 2.190 18.394 ( 0.830 2.802 -2.566) 3.889 18.431 ( 0.477 -0.580 -3.036) 3.127 18.682 ( 0.538 1.320 -0.384) 1.476 18.695 ( 0.900 0.038 -0.498) 1.029 18.769 ( -0.316 1.505 0.517) 1.623 18.795 ( 0.669 -0.704 0.042) 0.972 19.016 ( -1.235 1.949 2.692) 3.545 19.061 ( -1.206 -2.177 0.771) 2.605 19.747 ( 0.074 2.653 0.448) 2.692 19.778 ( 0.374 -0.303 -0.719) 0.865 ======================= Grid point 68 (36/56) ======================= q-point: ( 0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -7.505 7.541 3.683) 11.259 1.099 ( -10.450 0.970 -0.591) 10.511 1.333 ( -1.450 8.196 6.436) 10.521 1.361 ( -7.248 1.682 -2.447) 7.833 1.481 ( -7.472 -3.054 -2.466) 8.440 1.515 ( 3.430 -3.414 0.782) 4.902 1.591 ( 3.543 4.184 0.282) 5.490 1.670 ( -1.805 -0.455 -0.432) 1.911 1.696 ( 0.671 4.442 -0.170) 4.496 1.755 ( -3.678 0.400 -0.887) 3.805 1.849 ( -3.767 2.305 1.550) 4.681 1.919 ( -2.103 -3.200 0.671) 3.888 1.992 ( -1.010 5.449 0.195) 5.545 2.037 ( -2.260 5.644 0.616) 6.111 2.109 ( -0.918 0.221 0.402) 1.027 2.137 ( -3.222 -2.274 -2.067) 4.453 2.218 ( -2.717 1.390 3.419) 4.583 2.316 ( -5.270 3.794 1.579) 6.683 2.322 ( -1.843 -3.099 3.711) 5.174 2.386 ( 0.492 0.346 1.038) 1.199 2.463 ( -1.866 0.651 -1.570) 2.524 2.514 ( -0.486 -1.272 -1.531) 2.049 2.664 ( -1.009 2.160 1.355) 2.742 2.719 ( 0.389 -1.077 0.509) 1.253 2.783 ( -2.573 2.407 0.584) 3.571 2.839 ( -1.517 -0.134 -0.928) 1.783 2.914 ( -2.944 -0.061 1.703) 3.401 2.953 ( -2.967 -3.316 1.686) 4.759 2.978 ( -1.603 0.083 -2.990) 3.394 3.010 ( -0.946 -2.456 -2.422) 3.577 3.123 ( 3.953 2.201 0.455) 4.548 3.174 ( 4.069 -0.387 -3.069) 5.112 3.221 ( 0.528 4.018 -3.199) 5.163 3.309 ( -0.339 -2.165 -2.561) 3.370 3.350 ( -1.542 2.293 0.658) 2.840 3.386 ( -0.240 0.261 -0.101) 0.369 3.546 ( -1.116 2.538 3.200) 4.234 3.596 ( -0.302 -0.572 0.776) 1.011 3.686 ( 0.863 3.156 -0.121) 3.274 3.697 ( 1.544 1.235 0.343) 2.007 3.719 ( 5.095 0.666 -2.611) 5.764 3.741 ( 1.017 -0.119 -0.703) 1.242 3.844 ( 0.567 2.800 0.518) 2.904 3.862 ( 0.846 2.081 0.145) 2.251 3.937 ( 0.465 -0.400 0.162) 0.635 3.973 ( 3.685 -1.672 -2.392) 4.701 4.003 ( -2.717 -2.367 1.562) 3.927 4.036 ( -0.954 -2.509 -0.456) 2.723 4.149 ( 0.019 5.026 0.168) 5.029 4.182 ( 2.783 0.941 -0.440) 2.971 4.229 ( 1.406 1.715 -1.513) 2.685 4.284 ( 0.110 -0.250 -0.504) 0.573 4.547 ( 2.315 -0.270 1.036) 2.551 4.565 ( 0.248 -0.699 -0.087) 0.746 4.604 ( -0.297 -0.525 0.174) 0.628 4.666 ( 1.427 -3.807 -1.862) 4.471 4.897 ( -2.325 2.083 1.163) 3.331 4.932 ( -3.022 -1.927 0.667) 3.646 5.028 ( -1.213 1.567 -0.534) 2.052 5.051 ( -0.791 -1.077 -1.148) 1.762 5.117 ( 0.036 2.686 -0.544) 2.741 5.144 ( 2.596 0.935 -1.399) 3.093 5.248 ( -2.824 0.533 -0.173) 2.879 5.266 ( -0.921 -0.383 1.346) 1.675 5.320 ( 2.398 1.458 -1.263) 3.077 5.361 ( 3.478 -1.632 -0.723) 3.910 5.468 ( 0.785 1.731 1.141) 2.217 5.513 ( 0.041 -1.591 1.661) 2.300 5.541 ( 1.517 0.252 0.319) 1.571 5.588 ( 0.053 -1.748 0.860) 1.949 5.614 ( -0.203 -1.499 0.513) 1.597 5.616 ( -0.985 -2.141 -0.355) 2.383 5.701 ( 1.796 -0.581 -0.971) 2.123 5.711 ( 1.136 -1.495 -1.142) 2.198 5.813 ( -1.333 -0.801 1.089) 1.899 5.822 ( -0.148 -1.736 -0.542) 1.824 5.917 ( 1.262 0.363 -0.693) 1.485 5.928 ( 1.545 -0.525 -1.271) 2.069 6.070 ( -1.621 0.681 1.802) 2.517 6.092 ( -1.465 -1.394 2.009) 2.851 6.277 ( 0.993 3.037 0.754) 3.283 6.321 ( 1.774 0.395 0.054) 1.818 6.384 ( -4.915 1.519 1.118) 5.264 6.456 ( -0.456 -2.656 1.798) 3.239 6.566 ( -1.202 4.261 -2.239) 4.961 6.638 ( 0.337 -0.999 1.224) 1.616 6.699 ( 1.783 1.216 -1.413) 2.580 6.735 ( 2.055 -1.322 1.659) 2.954 6.895 ( 4.507 0.786 -0.362) 4.590 6.916 ( 4.240 -1.186 -0.504) 4.431 7.049 ( 2.716 -1.679 0.335) 3.211 7.091 ( 1.557 1.738 -0.096) 2.336 7.106 ( 2.838 -5.990 -0.273) 6.634 7.118 ( 2.886 -0.643 -0.086) 2.958 7.367 ( 5.447 2.658 0.008) 6.061 7.415 ( 6.746 -2.027 -0.083) 7.044 7.640 ( -5.264 1.107 0.391) 5.393 7.692 ( -4.655 -3.341 0.394) 5.743 7.779 ( -0.609 4.199 -0.206) 4.248 7.852 ( 2.582 -2.502 -0.422) 3.620 9.118 ( -3.381 0.424 0.050) 3.408 9.135 ( -2.728 -1.013 0.255) 2.921 9.234 ( -4.839 1.227 -0.281) 5.000 9.265 ( -3.759 -1.444 -0.058) 4.027 12.970 ( -2.105 0.240 0.011) 2.118 12.988 ( -1.852 -1.206 -0.063) 2.211 13.210 ( 0.584 -0.197 0.095) 0.624 13.211 ( 0.496 -0.326 -0.119) 0.605 14.033 ( -1.189 0.420 -0.306) 1.298 14.049 ( -1.520 -0.983 -0.140) 1.815 14.153 ( 3.852 -0.072 0.328) 3.867 14.159 ( 4.668 -0.615 -0.486) 4.734 15.289 ( -0.065 1.241 -0.517) 1.346 15.317 ( 1.277 -1.206 -1.228) 2.143 15.397 ( -0.081 0.557 -1.070) 1.209 15.413 ( 0.655 -0.966 -0.701) 1.361 15.513 ( 0.179 1.049 0.764) 1.310 15.550 ( 0.587 -2.174 -1.479) 2.694 15.656 ( -1.272 0.324 1.318) 1.860 15.672 ( -1.140 -1.050 0.951) 1.818 16.391 ( -1.544 4.823 2.409) 5.608 16.509 ( -1.682 -5.984 3.097) 6.944 16.537 ( 1.321 4.250 -1.447) 4.680 16.635 ( -0.821 -4.633 -2.804) 5.478 17.024 ( -1.156 0.770 0.241) 1.410 17.051 ( -0.278 -1.514 0.415) 1.594 17.129 ( -0.145 0.124 -0.109) 0.220 17.141 ( -0.468 -0.982 -1.329) 1.717 17.677 ( 1.080 1.693 0.299) 2.030 17.702 ( 1.693 -0.520 -0.443) 1.825 17.762 ( 0.706 0.432 0.103) 0.834 17.770 ( 0.866 -0.190 -0.243) 0.919 18.139 ( -1.417 3.767 2.788) 4.896 18.196 ( -0.674 -1.306 1.832) 2.349 18.377 ( -0.975 2.544 -2.121) 3.452 18.407 ( -0.985 -0.181 -2.748) 2.925 18.666 ( -1.261 1.701 -1.092) 2.382 18.689 ( -0.874 -0.574 -1.087) 1.508 18.791 ( 1.797 2.239 0.426) 2.903 18.826 ( 2.187 -1.023 -0.409) 2.449 19.017 ( -0.558 1.146 3.479) 3.705 19.043 ( -1.047 -1.146 1.395) 2.087 19.722 ( -2.627 2.834 0.362) 3.881 19.755 ( -2.049 -0.350 -0.976) 2.296 ======================= Grid point 69 (37/56) ======================= q-point: ( 0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -1.315 2.410 -0.505) 2.792 0.986 ( -0.738 -0.300 3.201) 3.299 1.195 ( -5.468 0.082 -3.680) 6.592 1.271 ( -5.778 -4.750 -0.765) 7.519 1.367 ( -3.654 7.014 1.128) 7.988 1.532 ( -6.340 -6.138 2.920) 9.295 1.606 ( -3.612 2.286 0.721) 4.335 1.613 ( -1.175 1.280 -1.533) 2.317 1.660 ( 2.055 5.928 0.965) 6.347 1.740 ( -3.547 3.266 0.741) 4.879 1.778 ( -1.847 -0.084 1.136) 2.170 1.834 ( -1.827 -2.978 -0.793) 3.583 1.902 ( -7.360 2.342 -2.413) 8.092 1.965 ( -8.448 -1.792 -0.414) 8.646 2.045 ( -2.485 -0.598 0.019) 2.556 2.102 ( 0.031 -3.207 -1.271) 3.450 2.195 ( -1.941 4.730 0.627) 5.151 2.244 ( -0.980 3.519 3.432) 5.012 2.308 ( -1.465 -3.732 1.617) 4.323 2.349 ( -1.889 -6.358 1.570) 6.816 2.483 ( 2.545 3.436 -1.155) 4.429 2.529 ( 1.352 -0.500 -2.505) 2.890 2.620 ( -3.428 3.307 0.396) 4.779 2.700 ( -2.029 -0.393 0.024) 2.067 2.734 ( -2.091 0.868 -1.026) 2.486 2.823 ( -0.639 -3.332 -2.251) 4.071 2.867 ( -1.875 1.501 2.286) 3.315 2.896 ( -1.562 1.562 2.319) 3.203 2.964 ( 0.773 -1.074 -1.638) 2.105 2.984 ( -0.159 -1.947 -2.746) 3.370 3.187 ( 1.829 2.175 0.292) 2.857 3.206 ( 0.622 0.685 -0.995) 1.359 3.256 ( 3.860 5.793 -0.156) 6.963 3.319 ( -0.449 1.570 1.073) 1.954 3.327 ( 0.935 2.520 0.029) 2.688 3.380 ( -0.396 -0.025 0.034) 0.398 3.523 ( -2.331 3.993 3.040) 5.533 3.581 ( -2.430 0.172 3.310) 4.110 3.667 ( -2.214 2.676 -0.012) 3.473 3.711 ( 1.643 -0.540 -1.573) 2.338 3.786 ( 2.688 1.630 -1.033) 3.309 3.813 ( 2.757 -0.327 -2.021) 3.434 3.836 ( 0.100 3.111 -1.292) 3.370 3.893 ( 1.947 -0.820 -0.740) 2.239 3.932 ( -0.955 1.346 1.508) 2.235 3.987 ( 0.649 1.101 -0.242) 1.300 3.993 ( -1.007 -1.470 -0.632) 1.891 4.051 ( 2.931 -2.895 -1.066) 4.255 4.144 ( -0.068 6.119 0.890) 6.183 4.229 ( 2.302 0.928 -1.770) 3.049 4.278 ( 2.222 -2.041 -0.857) 3.136 4.296 ( 1.256 -4.781 2.534) 5.555 4.572 ( 1.460 5.563 -2.063) 6.110 4.594 ( 1.382 1.222 -0.121) 1.849 4.636 ( 3.868 0.123 1.238) 4.063 4.733 ( 4.262 -3.935 1.343) 5.954 4.858 ( -2.350 1.240 0.460) 2.697 4.884 ( -1.083 -2.771 -0.724) 3.062 4.971 ( -4.382 4.276 -1.066) 6.215 5.017 ( -1.422 -0.691 -1.800) 2.395 5.097 ( -1.282 1.872 0.251) 2.282 5.167 ( -3.187 -3.450 0.150) 4.699 5.185 ( 0.193 2.819 -0.472) 2.864 5.241 ( -1.012 -1.967 0.299) 2.233 5.382 ( 3.181 3.490 0.397) 4.738 5.438 ( 3.940 -1.201 -0.445) 4.143 5.494 ( 1.213 0.574 -0.400) 1.401 5.508 ( -0.708 0.294 0.852) 1.147 5.577 ( 1.259 -1.270 -0.621) 1.893 5.583 ( -0.750 -1.778 -0.228) 1.944 5.602 ( -0.022 -0.105 0.551) 0.561 5.622 ( 0.319 -1.432 1.114) 1.842 5.721 ( -0.059 -1.039 0.159) 1.052 5.728 ( 0.673 -1.533 -0.142) 1.680 5.793 ( -0.644 -0.037 0.690) 0.945 5.823 ( 0.812 -2.439 -0.814) 2.697 5.938 ( 0.501 1.385 0.667) 1.616 5.964 ( 1.809 -0.974 0.913) 2.248 6.024 ( -3.050 0.562 0.061) 3.102 6.048 ( -2.754 -2.123 -0.399) 3.500 6.296 ( -0.610 0.601 0.099) 0.862 6.322 ( -1.343 -1.059 0.717) 1.854 6.358 ( 1.544 5.269 1.269) 5.635 6.453 ( -0.310 -2.576 0.864) 2.735 6.558 ( 1.576 3.006 -2.552) 4.247 6.630 ( -0.322 -2.695 -1.719) 3.213 6.742 ( 1.879 0.755 1.099) 2.304 6.777 ( 0.971 -2.298 1.845) 3.102 6.967 ( 2.729 0.721 -0.165) 2.827 6.979 ( 2.749 -0.935 -0.560) 2.957 7.089 ( 1.735 3.496 0.161) 3.907 7.142 ( 3.667 -0.872 0.305) 3.782 7.194 ( 4.899 -1.340 -0.273) 5.086 7.203 ( 3.200 -0.750 -0.525) 3.329 7.466 ( -1.211 2.829 0.519) 3.120 7.504 ( 6.916 5.156 -0.025) 8.626 7.588 ( -5.604 -5.506 0.173) 7.858 7.655 ( 6.711 -5.783 0.199) 8.861 7.742 ( -2.401 6.535 -0.190) 6.964 7.871 ( -0.702 -4.873 -0.236) 4.929 9.050 ( -2.769 0.133 -0.114) 2.774 9.074 ( -3.050 -1.766 0.351) 3.542 9.129 ( -4.953 0.785 -0.347) 5.027 9.166 ( -5.545 -2.443 0.092) 6.060 12.934 ( -1.349 -0.051 0.071) 1.352 12.948 ( -1.830 -1.175 0.040) 2.175 13.220 ( 0.429 -0.222 -0.161) 0.509 13.220 ( 0.435 -0.250 -0.088) 0.509 14.016 ( -0.399 0.114 -0.215) 0.467 14.027 ( -0.706 -0.801 -0.186) 1.084 14.224 ( 2.786 0.623 0.531) 2.904 14.241 ( 3.653 -0.957 -0.468) 3.805 15.292 ( 0.383 2.414 0.397) 2.476 15.339 ( 1.514 -1.553 -0.793) 2.310 15.395 ( 0.459 0.459 -0.810) 1.038 15.420 ( 0.313 -2.131 -0.533) 2.219 15.520 ( 0.130 1.280 0.554) 1.401 15.550 ( 0.376 -1.322 -1.498) 2.033 15.636 ( -1.305 0.085 0.963) 1.624 15.649 ( -1.468 -0.943 0.556) 1.831 16.374 ( -1.347 4.100 1.943) 4.733 16.478 ( -2.600 -5.391 1.346) 6.134 16.561 ( 1.720 2.100 -0.770) 2.822 16.610 ( -0.366 -2.269 -1.432) 2.708 17.008 ( -0.667 0.782 0.540) 1.162 17.042 ( -0.768 -2.245 0.295) 2.391 17.121 ( -0.378 0.007 -0.301) 0.484 17.127 ( -0.293 -0.501 -0.802) 0.990 17.703 ( 1.105 1.918 0.439) 2.257 17.734 ( 1.512 -0.788 -0.290) 1.729 17.775 ( 0.722 0.725 -0.467) 1.125 17.788 ( 1.111 -0.231 -0.707) 1.337 18.130 ( -1.296 4.060 2.905) 5.157 18.194 ( -0.627 -1.693 1.639) 2.439 18.339 ( -1.381 2.601 -1.585) 3.345 18.369 ( -1.084 -0.049 -2.169) 2.425 18.638 ( -0.590 1.879 -1.294) 2.357 18.663 ( -0.646 -0.559 -1.687) 1.891 18.821 ( 0.969 2.140 -0.417) 2.386 18.855 ( 1.091 -1.012 -1.583) 2.173 19.036 ( 0.181 0.856 3.785) 3.885 19.048 ( -0.080 0.004 3.584) 3.585 19.666 ( -2.772 2.888 -0.009) 4.003 19.700 ( -2.262 -0.411 -1.536) 2.765 ======================= Grid point 70 (38/56) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 1.613 -1.177 1.913) 2.765 0.998 ( -0.982 -2.912 2.476) 3.946 1.140 ( -2.534 -0.136 -4.539) 5.200 1.158 ( 0.679 -1.331 -3.198) 3.530 1.351 ( 2.115 3.118 0.611) 3.817 1.398 ( -4.589 -0.616 2.095) 5.082 1.552 ( -2.256 3.725 -4.324) 6.137 1.605 ( 0.051 -0.139 3.689) 3.692 1.662 ( -1.101 2.817 2.414) 3.870 1.675 ( -0.898 -1.781 -3.833) 4.320 1.763 ( -0.699 -3.221 2.139) 3.929 1.777 ( -2.544 -3.859 1.086) 4.748 1.897 ( 6.887 1.270 0.670) 7.035 1.907 ( 2.739 -0.639 0.497) 2.856 2.005 ( -0.082 3.124 -1.960) 3.689 2.090 ( 0.647 -3.869 -3.183) 5.052 2.182 ( 0.906 3.386 0.171) 3.509 2.221 ( -2.340 2.786 0.208) 3.644 2.292 ( -1.783 -2.729 3.208) 4.574 2.369 ( 0.812 -6.378 3.234) 7.197 2.475 ( -2.955 3.516 -0.938) 4.687 2.516 ( -0.189 0.566 -2.317) 2.392 2.600 ( 0.972 2.374 -0.642) 2.644 2.657 ( -1.886 -0.991 -0.137) 2.135 2.702 ( 0.026 0.665 -1.424) 1.571 2.798 ( 0.343 -4.621 -4.119) 6.200 2.856 ( -0.497 3.218 0.669) 3.325 2.910 ( 0.509 -0.063 3.322) 3.361 2.969 ( 1.392 0.483 -3.068) 3.404 2.985 ( 0.382 -0.190 0.882) 0.979 3.209 ( 0.430 2.803 0.961) 2.995 3.221 ( -0.067 2.289 2.857) 3.662 3.298 ( -0.929 2.750 -0.061) 2.903 3.316 ( 0.528 2.576 0.887) 2.775 3.362 ( 3.013 2.598 -0.934) 4.087 3.394 ( 2.270 1.182 -1.282) 2.862 3.509 ( -1.077 4.544 3.246) 5.687 3.554 ( -2.795 -1.089 5.010) 5.840 3.626 ( -1.136 4.564 -1.565) 4.957 3.737 ( 1.912 -3.596 -1.511) 4.344 3.805 ( 0.297 1.602 -1.028) 1.926 3.813 ( -0.619 1.137 -0.576) 1.417 3.838 ( 0.190 4.151 -0.915) 4.255 3.908 ( 0.203 0.743 -1.553) 1.734 3.943 ( 0.972 -2.024 0.570) 2.316 3.971 ( -0.575 -0.089 -0.684) 0.898 4.004 ( 0.603 2.625 -0.185) 2.700 4.075 ( 0.041 -0.341 -0.280) 0.443 4.172 ( 1.577 0.715 1.042) 2.021 4.240 ( 0.334 3.057 -2.454) 3.934 4.271 ( -1.920 -4.902 2.901) 6.011 4.348 ( 1.334 -5.272 -0.473) 5.458 4.577 ( -1.051 4.069 -0.242) 4.209 4.620 ( 0.879 0.513 -1.410) 1.739 4.699 ( -1.608 5.670 1.862) 6.180 4.757 ( -1.256 1.506 2.010) 2.808 4.833 ( 1.481 5.307 -2.204) 5.934 4.892 ( -0.213 1.124 0.313) 1.186 4.931 ( 4.060 -4.582 -1.419) 6.284 4.976 ( -1.453 -3.092 -2.253) 4.093 5.092 ( -2.364 -0.501 0.425) 2.454 5.100 ( 1.196 -1.748 0.499) 2.176 5.198 ( 0.470 1.008 -0.035) 1.112 5.229 ( -0.601 -1.457 0.173) 1.586 5.435 ( 1.613 3.286 1.474) 3.946 5.485 ( -0.600 0.727 -0.108) 0.949 5.488 ( 0.560 -0.062 -0.360) 0.669 5.519 ( -0.001 -1.835 0.220) 1.848 5.557 ( -0.908 -0.164 -1.334) 1.622 5.572 ( -0.470 -0.802 -1.539) 1.798 5.618 ( 0.300 0.196 1.278) 1.327 5.633 ( -0.389 -1.275 1.942) 2.356 5.710 ( -0.369 -1.506 -0.193) 1.562 5.722 ( -0.840 -2.186 -0.697) 2.443 5.808 ( 0.923 0.879 1.534) 1.994 5.837 ( 0.451 -1.449 0.161) 1.526 5.940 ( 0.557 1.339 -0.893) 1.703 5.959 ( -1.266 -0.552 -0.729) 1.561 6.009 ( 0.296 -0.855 1.345) 1.621 6.026 ( 0.220 -3.135 0.662) 3.212 6.274 ( -0.940 0.858 -0.170) 1.284 6.301 ( -0.828 -1.299 -0.222) 1.556 6.394 ( 0.220 4.399 2.055) 4.860 6.453 ( -0.307 -0.656 0.142) 0.738 6.572 ( 0.895 0.637 -2.161) 2.424 6.609 ( -0.766 -1.618 -2.195) 2.832 6.768 ( -0.170 -0.241 1.632) 1.658 6.793 ( -0.302 -2.188 1.402) 2.616 6.998 ( 0.460 1.265 -0.511) 1.439 7.011 ( 1.134 0.024 -0.763) 1.367 7.127 ( -0.854 4.502 1.076) 4.707 7.189 ( 0.364 2.858 -0.947) 3.033 7.205 ( -0.613 -0.920 0.584) 1.250 7.239 ( 0.271 -1.135 -0.527) 1.280 7.466 ( 0.088 -2.602 1.121) 2.834 7.512 ( -0.324 -5.918 -0.698) 5.968 7.633 ( -5.236 8.135 0.031) 9.674 7.640 ( 5.235 7.809 -0.042) 9.401 7.810 ( -3.853 -6.182 0.035) 7.284 7.817 ( 3.910 -6.527 -0.091) 7.609 9.026 ( 0.344 -0.591 0.189) 0.710 9.038 ( -1.005 -1.661 -0.347) 1.973 9.080 ( 1.221 -0.559 0.404) 1.402 9.095 ( -0.528 -1.868 -0.237) 1.955 12.923 ( -0.012 -0.532 0.149) 0.553 12.927 ( -0.062 -0.850 0.019) 0.852 13.223 ( -0.035 -0.172 -0.197) 0.264 13.224 ( 0.020 -0.259 -0.196) 0.325 14.013 ( 0.153 -0.196 -0.127) 0.279 14.018 ( -0.081 -0.587 -0.219) 0.632 14.255 ( -0.132 1.129 0.569) 1.271 14.282 ( 0.514 -1.300 -0.311) 1.432 15.304 ( 0.202 2.813 1.099) 3.027 15.360 ( 0.957 -1.676 -0.758) 2.073 15.403 ( 0.322 -0.252 0.089) 0.419 15.418 ( 0.358 -1.582 -1.447) 2.174 15.519 ( -0.820 1.436 0.669) 1.784 15.548 ( 0.498 -0.711 -1.665) 1.877 15.625 ( -0.371 -0.620 0.980) 1.217 15.631 ( -0.377 -0.830 0.207) 0.935 16.369 ( -0.407 2.755 2.117) 3.498 16.439 ( -1.508 -3.488 0.013) 3.801 16.580 ( 0.085 0.929 -0.438) 1.031 16.612 ( 1.553 -1.765 -0.680) 2.447 17.006 ( -0.008 0.214 0.918) 0.942 17.029 ( -0.564 -1.808 -0.009) 1.894 17.114 ( 0.013 0.280 -0.317) 0.423 17.125 ( 0.699 -0.664 -0.660) 1.168 17.717 ( -0.157 1.908 0.575) 1.999 17.749 ( 0.074 -0.911 -0.190) 0.934 17.779 ( -0.017 1.020 -0.808) 1.301 17.796 ( 0.096 -0.332 -0.972) 1.032 18.126 ( -0.918 4.015 2.929) 5.054 18.191 ( -0.700 -1.883 1.505) 2.510 18.317 ( 0.434 3.033 -1.523) 3.422 18.354 ( 1.064 -0.292 -1.733) 2.054 18.631 ( 0.586 1.679 -1.109) 2.096 18.649 ( 0.360 -0.078 -1.966) 2.000 18.822 ( -0.356 1.708 -0.636) 1.857 18.850 ( -0.386 -0.864 -1.832) 2.062 19.064 ( -0.627 0.747 4.249) 4.359 19.065 ( -0.524 0.809 3.743) 3.865 19.631 ( -0.284 3.009 -0.421) 3.052 19.669 ( 0.494 -0.637 -1.745) 1.922 ======================= Grid point 71 (39/56) ======================= q-point: (-0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -2.637 4.313 0.988) 5.151 1.005 ( 1.707 -3.367 2.724) 4.655 1.155 ( 2.314 1.716 -3.095) 4.229 1.234 ( 8.424 -3.965 -2.704) 9.695 1.353 ( 0.616 6.008 2.923) 6.710 1.463 ( 4.968 -3.097 2.126) 6.229 1.512 ( 2.186 7.202 -4.154) 8.597 1.639 ( 1.246 3.875 1.977) 4.526 1.685 ( 0.816 -3.919 0.225) 4.009 1.737 ( 5.135 2.782 3.564) 6.842 1.799 ( 3.770 -5.882 0.325) 6.995 1.803 ( 5.476 -4.188 0.134) 6.896 1.961 ( 2.549 4.430 -3.612) 6.258 2.026 ( 1.841 2.533 -0.185) 3.137 2.073 ( 8.615 -0.170 -0.489) 8.630 2.095 ( 2.199 -4.143 -1.320) 4.872 2.188 ( 0.658 5.330 0.054) 5.370 2.250 ( 3.602 0.323 1.729) 4.009 2.258 ( -3.538 1.576 3.583) 5.276 2.380 ( -3.605 -2.209 2.148) 4.742 2.432 ( 1.643 -0.469 -1.620) 2.354 2.489 ( -0.497 -1.166 -0.384) 1.324 2.615 ( 0.496 1.092 -0.773) 1.427 2.646 ( 1.398 0.409 0.968) 1.749 2.719 ( 2.050 -1.022 -1.193) 2.583 2.785 ( 0.906 -5.335 -3.746) 6.581 2.860 ( 0.580 4.131 0.099) 4.173 2.935 ( 0.564 -2.452 0.059) 2.517 2.981 ( 0.357 2.645 -1.439) 3.032 3.005 ( 1.731 0.740 1.699) 2.536 3.205 ( -1.521 7.401 0.444) 7.569 3.226 ( -0.247 4.148 1.443) 4.398 3.300 ( 0.179 -1.741 0.572) 1.842 3.319 ( 0.646 -1.891 -0.667) 2.106 3.414 ( 1.998 2.087 -1.752) 3.379 3.432 ( 2.889 0.925 -1.855) 3.556 3.516 ( -1.646 2.086 3.890) 4.711 3.527 ( -2.248 -0.671 4.595) 5.160 3.614 ( 1.122 6.632 -2.140) 7.058 3.749 ( -0.949 -2.636 -0.179) 2.807 3.796 ( -0.599 3.127 -1.377) 3.469 3.801 ( 0.057 1.866 -0.905) 2.074 3.837 ( 0.558 3.996 -0.730) 4.101 3.881 ( -1.526 1.274 -1.014) 2.231 3.949 ( -1.936 -3.138 0.198) 3.692 3.962 ( 0.488 -3.850 -0.343) 3.896 4.006 ( -0.246 3.128 0.144) 3.141 4.074 ( 0.305 -0.247 -0.067) 0.399 4.173 ( -1.324 2.153 -0.877) 2.675 4.231 ( -1.702 -1.829 0.656) 2.583 4.246 ( -0.523 0.266 -0.476) 0.756 4.342 ( -1.640 -4.666 0.809) 5.012 4.533 ( -2.647 2.717 -0.889) 3.896 4.568 ( -3.183 0.984 -0.933) 3.460 4.644 ( -2.814 2.645 1.019) 3.994 4.738 ( -2.020 -2.358 0.927) 3.240 4.887 ( 2.924 3.596 0.703) 4.687 4.924 ( 0.012 -1.376 0.635) 1.516 4.958 ( 3.582 0.025 -1.017) 3.724 4.988 ( 2.475 -1.061 -3.488) 4.407 5.095 ( 2.717 3.323 0.450) 4.316 5.161 ( 3.672 -1.919 -0.075) 4.144 5.201 ( -0.250 0.372 0.017) 0.449 5.214 ( -0.976 -1.416 -0.252) 1.738 5.435 ( -3.490 2.668 1.703) 4.711 5.455 ( -1.344 2.389 -1.381) 3.069 5.476 ( -1.867 0.298 -0.859) 2.076 5.495 ( -2.366 -2.336 1.812) 3.787 5.538 ( -0.094 -0.427 -0.861) 0.966 5.569 ( 0.948 -2.047 -0.892) 2.425 5.616 ( -0.850 -0.239 1.120) 1.426 5.634 ( -0.663 -2.130 1.386) 2.626 5.697 ( -0.228 -0.473 -1.254) 1.360 5.717 ( 0.238 -1.847 0.391) 1.903 5.823 ( -0.058 0.485 0.042) 0.490 5.844 ( 0.223 -0.816 0.381) 0.928 5.961 ( 2.253 0.472 0.148) 2.307 5.983 ( 2.647 -1.576 1.224) 3.315 6.010 ( -0.814 -0.510 0.674) 1.174 6.018 ( -1.383 -1.402 -0.824) 2.135 6.264 ( -0.320 1.888 0.744) 2.054 6.303 ( 0.972 -1.591 -0.123) 1.869 6.386 ( -1.585 3.737 1.915) 4.488 6.440 ( -0.811 -0.511 -0.020) 0.959 6.557 ( -1.058 -0.352 -1.776) 2.097 6.582 ( -0.427 -1.543 -1.733) 2.359 6.758 ( -1.730 0.587 1.246) 2.211 6.784 ( -1.300 -1.395 0.980) 2.144 6.984 ( -1.493 1.330 -0.310) 2.024 7.008 ( -1.524 -1.191 -0.179) 1.942 7.082 ( -1.370 3.276 0.028) 3.551 7.129 ( -4.515 -1.321 0.459) 4.726 7.175 ( -5.111 0.132 -0.481) 5.135 7.212 ( -3.425 -1.533 -0.370) 3.770 7.468 ( 1.013 1.542 0.519) 1.917 7.498 ( -7.218 5.844 -0.024) 9.287 7.585 ( 5.642 -5.170 0.164) 7.654 7.657 ( -6.443 -6.082 0.211) 8.863 7.743 ( 2.520 6.862 -0.192) 7.313 7.874 ( 0.625 -4.975 -0.222) 5.019 9.049 ( 2.483 0.003 -0.124) 2.486 9.068 ( 3.372 -1.486 0.305) 3.697 9.136 ( 4.630 0.414 -0.299) 4.658 9.168 ( 5.845 -2.263 0.101) 6.268 12.935 ( 1.308 -0.125 0.072) 1.316 12.947 ( 1.788 -1.148 0.040) 2.125 13.217 ( -0.468 -0.078 -0.138) 0.494 13.220 ( -0.335 -0.360 -0.113) 0.504 14.019 ( 0.617 -0.303 -0.340) 0.767 14.022 ( 0.617 -0.516 -0.044) 0.806 14.225 ( -3.101 1.200 0.365) 3.345 14.255 ( -2.979 -1.550 -0.313) 3.372 15.309 ( -0.247 2.031 0.658) 2.149 15.360 ( -0.606 -2.462 -0.853) 2.676 15.399 ( 0.183 1.120 -1.409) 1.809 15.429 ( 0.885 -1.429 -0.282) 1.704 15.500 ( -1.105 2.376 0.268) 2.634 15.548 ( 0.397 -1.779 -1.462) 2.336 15.633 ( 0.634 -0.514 1.057) 1.335 15.640 ( 0.788 -1.005 0.794) 1.503 16.379 ( -0.175 2.097 2.387) 3.182 16.430 ( 0.667 -2.028 0.207) 2.145 16.569 ( -0.586 2.234 -0.571) 2.379 16.646 ( 2.056 -4.096 -0.889) 4.669 17.017 ( 0.517 -0.329 0.994) 1.168 17.023 ( 0.109 -0.773 -0.294) 0.834 17.119 ( 0.549 0.818 -0.451) 1.083 17.143 ( 1.316 -1.363 -0.538) 1.969 17.704 ( -1.437 1.849 0.530) 2.401 17.735 ( -1.252 -0.925 -0.362) 1.598 17.766 ( -0.781 1.003 -0.492) 1.363 17.782 ( -0.779 -0.314 -0.715) 1.103 18.131 ( -0.439 3.624 2.948) 4.692 18.187 ( -0.566 -1.550 1.680) 2.354 18.338 ( 2.531 3.430 -2.047) 4.728 18.384 ( 2.822 -0.790 -1.934) 3.510 18.644 ( 1.355 1.233 -0.957) 2.067 18.651 ( 1.030 0.535 -1.997) 2.310 18.805 ( -1.065 1.267 0.108) 1.658 18.825 ( -1.122 -0.473 -1.011) 1.583 19.053 ( -2.217 1.649 3.414) 4.391 19.077 ( -0.837 -0.481 3.088) 3.236 19.654 ( 2.636 3.378 -0.218) 4.290 19.697 ( 3.016 -0.771 -1.402) 3.414 ======================= Grid point 72 (40/56) ======================= q-point: (-0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 8.392 9.129 3.114) 12.786 1.116 ( 5.926 0.905 2.728) 6.587 1.214 ( 5.823 2.761 -0.301) 6.452 1.343 ( 5.024 -3.751 -0.606) 6.299 1.430 ( 4.214 7.119 1.255) 8.367 1.537 ( -0.617 4.011 -0.186) 4.062 1.560 ( 2.190 -0.710 -0.029) 2.303 1.644 ( -1.099 -0.970 -1.151) 1.864 1.736 ( 3.507 3.728 0.584) 5.152 1.819 ( 1.786 3.293 3.525) 5.144 1.840 ( -0.380 -0.684 -3.484) 3.571 1.900 ( 4.631 -2.940 2.263) 5.934 2.045 ( 2.373 4.211 -1.377) 5.026 2.069 ( 3.545 1.333 1.548) 4.091 2.101 ( 1.151 0.259 -0.837) 1.447 2.145 ( -0.784 0.599 -2.941) 3.102 2.213 ( -0.590 3.611 5.520) 6.622 2.268 ( 1.812 -1.153 2.049) 2.969 2.311 ( 0.275 1.292 0.702) 1.496 2.352 ( 1.514 0.325 2.902) 3.289 2.443 ( 3.281 2.544 -2.610) 4.904 2.522 ( 1.397 -2.105 0.447) 2.565 2.632 ( 2.212 1.036 -0.620) 2.520 2.736 ( 4.914 0.476 2.517) 5.541 2.750 ( 1.735 -0.252 0.085) 1.756 2.784 ( 1.188 -8.260 -1.427) 8.466 2.873 ( 0.687 3.859 -0.196) 3.925 2.933 ( -0.434 -0.261 0.347) 0.614 2.978 ( 0.878 2.610 -2.438) 3.678 3.052 ( 1.697 -2.768 0.348) 3.266 3.188 ( 0.429 5.957 -2.957) 6.664 3.209 ( -2.474 4.186 0.119) 4.864 3.294 ( 0.822 -1.780 -2.285) 3.011 3.321 ( -1.307 -4.166 -0.589) 4.406 3.412 ( -1.436 1.978 -2.305) 3.359 3.456 ( -1.220 -2.124 0.270) 2.464 3.487 ( -0.489 2.152 1.777) 2.833 3.543 ( 1.313 -3.047 1.657) 3.708 3.639 ( 1.762 6.748 -0.639) 7.004 3.700 ( -2.572 0.477 -1.469) 3.000 3.751 ( -2.099 3.835 -1.290) 4.559 3.800 ( -2.942 0.307 0.432) 2.990 3.820 ( -1.171 6.360 1.361) 6.609 3.880 ( 1.609 -1.280 -0.819) 2.213 3.898 ( -2.237 -3.145 0.552) 3.898 3.955 ( -1.065 -4.269 -1.004) 4.513 4.011 ( 1.439 2.877 -0.371) 3.238 4.074 ( -0.628 -2.777 0.644) 2.919 4.130 ( -2.194 3.596 -0.425) 4.234 4.198 ( -1.313 -0.376 -0.580) 1.484 4.250 ( 0.595 0.523 -0.394) 0.884 4.302 ( -1.478 -1.353 -1.195) 2.333 4.492 ( -0.340 3.424 0.131) 3.443 4.552 ( 0.230 -1.931 1.443) 2.421 4.619 ( 0.173 0.341 -1.196) 1.256 4.697 ( -1.493 -4.830 -1.081) 5.170 4.935 ( 0.543 2.603 2.480) 3.636 4.953 ( 2.299 0.238 1.551) 2.784 4.999 ( 1.440 -0.044 -1.380) 1.995 5.012 ( 2.118 -0.947 -2.899) 3.714 5.146 ( -0.008 3.286 -1.190) 3.495 5.169 ( -2.120 0.143 -0.669) 2.227 5.208 ( 1.813 0.045 1.002) 2.072 5.233 ( 2.558 -1.602 -0.812) 3.126 5.364 ( -3.438 2.231 -0.221) 4.105 5.397 ( -2.449 0.517 -2.451) 3.503 5.439 ( -1.535 1.347 2.058) 2.900 5.473 ( -1.020 -1.995 3.147) 3.863 5.539 ( 0.155 -0.323 -0.793) 0.870 5.567 ( -1.047 -3.400 0.845) 3.656 5.621 ( 1.113 -1.072 -0.271) 1.569 5.629 ( -0.413 -2.257 0.796) 2.429 5.690 ( -0.068 0.659 -1.170) 1.345 5.718 ( -0.280 -1.492 -0.362) 1.560 5.815 ( -0.285 0.262 -0.628) 0.738 5.842 ( -0.348 -1.754 -0.279) 1.810 5.963 ( -2.507 -0.237 -0.921) 2.681 5.977 ( -1.975 -0.636 -1.346) 2.473 6.026 ( 2.207 0.190 3.177) 3.873 6.049 ( 1.814 -1.136 2.155) 3.038 6.262 ( -0.705 2.742 1.378) 3.148 6.298 ( -1.089 -0.305 -0.649) 1.304 6.421 ( 4.333 2.047 2.341) 5.333 6.438 ( 0.590 0.426 0.162) 0.745 6.526 ( -1.204 0.147 -1.091) 1.632 6.578 ( 0.980 -3.292 0.284) 3.447 6.716 ( -2.657 3.515 -0.202) 4.411 6.759 ( -1.715 0.708 0.321) 1.883 6.933 ( -3.807 0.249 -0.389) 3.835 6.947 ( -5.006 -0.584 -0.168) 5.043 7.055 ( -3.749 -0.848 1.265) 4.046 7.070 ( -1.014 0.371 -0.396) 1.150 7.087 ( -0.690 -3.473 -0.989) 3.677 7.118 ( -3.443 -3.337 0.008) 4.794 7.368 ( -5.358 2.225 0.078) 5.802 7.409 ( -6.547 -1.687 -0.082) 6.762 7.648 ( 5.137 1.001 0.400) 5.249 7.698 ( 4.644 -3.391 0.427) 5.766 7.775 ( 0.545 4.234 -0.218) 4.274 7.849 ( -2.739 -2.451 -0.443) 3.702 9.112 ( 3.293 0.599 0.061) 3.348 9.136 ( 2.822 -1.517 0.235) 3.212 9.234 ( 4.771 1.635 -0.269) 5.051 9.270 ( 3.821 -1.571 -0.062) 4.132 12.971 ( 2.102 0.156 0.011) 2.108 12.987 ( 1.914 -1.179 -0.063) 2.249 13.206 ( -0.524 0.035 0.004) 0.526 13.212 ( -0.386 -0.534 -0.027) 0.659 14.036 ( 1.475 -0.189 -0.505) 1.571 14.040 ( 1.276 -0.586 0.082) 1.407 14.152 ( -4.076 0.807 0.026) 4.155 14.175 ( -4.561 -1.311 -0.208) 4.750 15.305 ( -0.122 0.704 -0.559) 0.907 15.333 ( -1.186 -1.885 -1.163) 2.513 15.399 ( 0.693 1.848 -1.567) 2.520 15.431 ( -0.527 -1.067 -0.605) 1.335 15.493 ( 0.088 2.091 0.745) 2.222 15.546 ( 0.447 -2.582 -1.504) 3.022 15.654 ( 0.501 -0.252 1.316) 1.430 15.663 ( 0.724 -1.063 1.288) 1.821 16.390 ( -0.261 3.038 2.482) 3.932 16.461 ( 1.673 -2.207 1.279) 3.051 16.552 ( -0.717 3.309 -0.710) 3.460 16.671 ( 1.186 -6.156 -1.744) 6.507 17.027 ( 0.569 0.270 -0.138) 0.645 17.039 ( 0.851 -0.814 0.676) 1.358 17.124 ( 0.280 1.296 -0.520) 1.424 17.161 ( 0.728 -2.010 -0.862) 2.305 17.678 ( -1.245 1.606 0.364) 2.064 17.704 ( -1.322 -0.691 -0.618) 1.615 17.750 ( -0.559 0.802 0.237) 1.006 17.764 ( -0.612 -0.263 -0.231) 0.705 18.142 ( -0.373 3.360 2.843) 4.417 18.191 ( -0.250 -1.126 1.861) 2.189 18.376 ( 2.481 3.277 -2.557) 4.841 18.423 ( 2.222 -0.962 -2.663) 3.599 18.663 ( 1.332 1.083 -1.298) 2.152 18.670 ( 1.706 0.526 -0.554) 1.869 18.785 ( -1.263 1.065 0.653) 1.776 18.800 ( -0.900 -0.260 -0.097) 0.942 19.030 ( -1.881 2.130 2.674) 3.902 19.074 ( -0.889 -1.861 1.675) 2.657 19.713 ( 2.834 3.099 0.280) 4.209 19.750 ( 2.737 -0.508 -0.929) 2.935 ======================= Grid point 91 (41/56) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -3.626 0.000 -15.153) 15.581 0.660 ( 3.626 0.000 15.153) 15.581 0.767 ( 1.961 0.000 -17.341) 17.451 0.767 ( -1.961 0.000 17.341) 17.451 1.377 ( 5.782 0.000 -4.069) 7.070 1.377 ( -5.782 0.000 4.069) 7.070 1.405 ( 0.455 0.000 -6.332) 6.348 1.405 ( -0.455 0.000 6.332) 6.348 1.596 ( -6.535 0.000 2.095) 6.862 1.596 ( 6.535 0.000 -2.095) 6.862 1.672 ( 0.308 0.000 -3.600) 3.613 1.672 ( -0.308 0.000 3.600) 3.613 1.768 ( -2.916 0.000 -3.285) 4.392 1.768 ( 2.916 0.000 3.285) 4.392 1.963 ( 2.872 0.000 -4.177) 5.070 1.963 ( -2.872 0.000 4.177) 5.070 2.115 ( 0.460 0.000 -7.423) 7.437 2.115 ( -0.460 0.000 7.423) 7.437 2.354 ( 4.367 0.000 -7.542) 8.715 2.354 ( -4.367 0.000 7.542) 8.715 2.472 ( 1.610 0.000 -0.711) 1.760 2.472 ( -1.610 0.000 0.711) 1.760 2.580 ( -0.029 0.000 -2.713) 2.713 2.580 ( 0.029 0.000 2.713) 2.713 2.743 ( 2.550 0.000 -2.124) 3.319 2.743 ( -2.550 0.000 2.124) 3.319 2.867 ( 0.666 0.000 -6.877) 6.909 2.867 ( -0.666 0.000 6.877) 6.909 3.031 ( 2.399 0.000 -4.795) 5.361 3.031 ( -2.399 0.000 4.795) 5.361 3.129 ( -3.655 0.000 -2.632) 4.503 3.129 ( 3.655 0.000 2.632) 4.503 3.272 ( -0.310 0.000 -2.114) 2.137 3.272 ( 0.310 0.000 2.114) 2.137 3.410 ( 0.542 0.000 -1.585) 1.675 3.410 ( -0.542 0.000 1.585) 1.675 3.491 ( -1.729 0.000 -1.504) 2.292 3.491 ( 1.729 0.000 1.504) 2.292 3.572 ( 0.364 0.000 -0.994) 1.059 3.572 ( -0.364 0.000 0.994) 1.059 3.683 ( 5.139 0.000 -2.553) 5.738 3.683 ( -5.139 0.000 2.553) 5.738 3.828 ( -1.098 0.000 -3.541) 3.707 3.828 ( 1.098 0.000 3.541) 3.707 3.934 ( 0.344 0.000 -0.276) 0.441 3.934 ( -0.344 0.000 0.276) 0.441 3.967 ( 1.122 0.000 -3.054) 3.254 3.967 ( -1.122 0.000 3.054) 3.254 4.203 ( 0.689 0.000 -6.461) 6.497 4.203 ( -0.689 0.000 6.461) 6.497 4.400 ( -1.875 0.000 -2.352) 3.008 4.400 ( 1.875 0.000 2.352) 3.008 4.556 ( 1.525 0.000 -2.247) 2.716 4.556 ( -1.525 0.000 2.247) 2.716 4.709 ( -0.306 0.000 -1.588) 1.617 4.709 ( 0.306 0.000 1.588) 1.617 4.838 ( 0.057 0.000 -2.420) 2.420 4.838 ( -0.057 0.000 2.420) 2.420 4.977 ( 3.841 0.000 -6.485) 7.537 4.977 ( -3.841 0.000 6.485) 7.537 5.141 ( -1.615 0.000 -2.459) 2.942 5.141 ( 1.615 0.000 2.459) 2.942 5.230 ( 1.448 0.000 -3.965) 4.221 5.230 ( -1.448 0.000 3.965) 4.221 5.317 ( 0.259 0.000 -1.243) 1.270 5.317 ( -0.259 0.000 1.243) 1.270 5.510 ( -5.219 0.000 -1.736) 5.500 5.510 ( 5.219 0.000 1.736) 5.500 5.663 ( 1.309 0.000 -1.286) 1.836 5.663 ( -1.309 0.000 1.286) 1.836 5.734 ( -3.452 0.000 -1.856) 3.919 5.734 ( 3.452 0.000 1.856) 3.919 5.832 ( -2.533 0.000 -2.010) 3.233 5.832 ( 2.533 0.000 2.010) 3.233 5.911 ( 3.765 0.000 -2.901) 4.753 5.911 ( -3.765 0.000 2.901) 4.753 5.974 ( 1.761 0.000 -1.464) 2.290 5.974 ( -1.761 0.000 1.464) 2.290 6.053 ( 0.466 0.000 -2.863) 2.900 6.053 ( -0.466 0.000 2.863) 2.900 6.144 ( -0.182 0.000 -3.450) 3.454 6.144 ( 0.182 0.000 3.450) 3.454 6.279 ( -0.599 0.000 -2.713) 2.778 6.279 ( 0.599 0.000 2.713) 2.778 6.642 ( -1.715 0.000 -0.326) 1.745 6.642 ( 1.715 0.000 0.326) 1.745 6.804 ( -2.732 0.000 -6.221) 6.795 6.804 ( 2.732 0.000 6.221) 6.795 6.906 ( -1.012 0.000 -4.868) 4.972 6.906 ( 1.012 0.000 4.868) 4.972 7.010 ( 3.237 0.000 -2.556) 4.125 7.010 ( -3.237 0.000 2.556) 4.125 7.243 ( -3.966 0.000 -3.495) 5.286 7.243 ( 3.966 0.000 3.495) 5.286 7.493 ( -5.061 0.000 -1.314) 5.229 7.493 ( 5.061 0.000 1.314) 5.229 7.677 ( 0.136 0.000 -0.630) 0.645 7.677 ( -0.136 0.000 0.630) 0.645 7.714 ( -0.301 0.000 -1.066) 1.108 7.714 ( 0.301 0.000 1.066) 1.108 9.183 ( 0.471 0.000 -0.660) 0.811 9.183 ( -0.471 0.000 0.660) 0.811 9.256 ( -0.513 0.000 -1.125) 1.237 9.256 ( 0.513 0.000 1.125) 1.237 13.053 ( -0.155 0.000 -0.666) 0.684 13.053 ( 0.155 0.000 0.666) 0.684 13.240 ( -0.338 0.000 -0.797) 0.865 13.240 ( 0.338 0.000 0.797) 0.865 14.088 ( -3.362 0.000 0.592) 3.414 14.088 ( 3.362 0.000 -0.592) 3.414 14.149 ( -2.615 0.000 -0.542) 2.671 14.149 ( 2.615 0.000 0.542) 2.671 15.300 ( -1.379 0.000 0.267) 1.405 15.300 ( 1.379 0.000 -0.267) 1.405 15.436 ( -1.262 0.000 -0.871) 1.533 15.436 ( 1.262 0.000 0.871) 1.533 15.638 ( 0.677 0.000 -3.562) 3.626 15.638 ( -0.677 0.000 3.562) 3.626 15.707 ( 0.479 0.000 -1.230) 1.320 15.707 ( -0.479 0.000 1.230) 1.320 16.345 ( 2.996 0.000 -3.815) 4.851 16.345 ( -2.996 0.000 3.815) 4.851 16.774 ( -1.478 0.000 -2.141) 2.602 16.774 ( 1.478 0.000 2.141) 2.602 17.105 ( 0.357 0.000 -0.792) 0.869 17.105 ( -0.357 0.000 0.792) 0.869 17.120 ( -1.377 0.000 -0.074) 1.379 17.120 ( 1.377 0.000 0.074) 1.379 17.701 ( 1.882 0.000 -1.146) 2.203 17.701 ( -1.882 0.000 1.146) 2.203 17.731 ( -0.028 0.000 -0.114) 0.117 17.731 ( 0.028 0.000 0.114) 0.117 17.953 ( 0.502 0.000 -2.405) 2.457 17.953 ( -0.502 0.000 2.405) 2.457 18.329 ( -0.855 0.000 -0.647) 1.072 18.329 ( 0.855 0.000 0.647) 1.072 18.547 ( 0.900 0.000 -3.811) 3.916 18.547 ( -0.900 0.000 3.811) 3.916 18.765 ( -1.885 0.000 0.260) 1.903 18.765 ( 1.885 0.000 -0.260) 1.903 19.128 ( -1.223 0.000 -1.658) 2.060 19.128 ( 1.223 0.000 1.658) 2.060 19.629 ( 2.330 0.000 -6.146) 6.573 19.629 ( -2.330 0.000 6.146) 6.573 ======================= Grid point 93 (42/56) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 15.655 0.000 -10.914) 19.084 0.737 ( 6.902 0.000 -12.213) 14.029 0.912 ( 5.071 0.000 16.729) 17.481 0.974 ( 12.721 0.000 9.583) 15.927 1.294 ( -3.858 0.000 4.979) 6.299 1.394 ( 2.140 0.000 0.138) 2.145 1.417 ( 6.646 0.000 -11.363) 13.164 1.484 ( 2.705 0.000 -2.608) 3.757 1.522 ( -0.952 0.000 -3.210) 3.348 1.616 ( -1.914 0.000 -1.002) 2.160 1.692 ( 1.126 0.000 7.051) 7.140 1.710 ( 3.593 0.000 -6.220) 7.183 1.782 ( 6.419 0.000 -2.634) 6.938 1.834 ( 1.670 0.000 2.778) 3.241 2.005 ( 3.299 0.000 0.395) 3.322 2.006 ( 3.374 0.000 -5.095) 6.110 2.139 ( 6.452 0.000 -6.638) 9.258 2.175 ( 2.629 0.000 3.577) 4.439 2.350 ( -0.523 0.000 6.906) 6.926 2.394 ( 2.870 0.000 -5.090) 5.844 2.433 ( -3.223 0.000 5.706) 6.554 2.485 ( -0.396 0.000 2.037) 2.076 2.550 ( -1.804 0.000 -3.382) 3.833 2.576 ( -3.045 0.000 3.455) 4.605 2.722 ( 0.415 0.000 1.322) 1.385 2.776 ( 1.887 0.000 -0.957) 2.116 2.810 ( -2.325 0.000 -4.239) 4.834 2.867 ( -3.865 0.000 7.576) 8.505 2.995 ( -4.441 0.000 3.435) 5.614 3.019 ( -0.461 0.000 -6.542) 6.558 3.052 ( 0.380 0.000 -4.103) 4.121 3.131 ( -2.394 0.000 -1.676) 2.922 3.244 ( -2.478 0.000 0.463) 2.521 3.299 ( -2.062 0.000 5.447) 5.825 3.354 ( -2.850 0.000 -1.360) 3.158 3.378 ( -1.638 0.000 -0.798) 1.822 3.411 ( -6.056 0.000 -1.308) 6.196 3.540 ( -3.310 0.000 3.735) 4.991 3.593 ( 2.215 0.000 1.416) 2.629 3.608 ( 1.370 0.000 2.008) 2.431 3.614 ( -0.247 0.000 2.400) 2.412 3.746 ( 2.758 0.000 -2.542) 3.751 3.754 ( -3.069 0.000 -5.481) 6.282 3.829 ( -2.639 0.000 1.381) 2.978 3.871 ( -3.862 0.000 2.212) 4.451 3.891 ( -1.683 0.000 -1.140) 2.033 3.998 ( 1.267 0.000 -0.934) 1.574 4.008 ( 1.491 0.000 1.410) 2.052 4.167 ( 0.077 0.000 -6.112) 6.112 4.224 ( 0.009 0.000 4.455) 4.455 4.335 ( -4.325 0.000 1.192) 4.486 4.430 ( -0.934 0.000 4.931) 5.019 4.503 ( -3.399 0.000 -0.737) 3.478 4.518 ( -2.713 0.000 -4.405) 5.174 4.677 ( -2.025 0.000 -0.895) 2.214 4.724 ( -0.181 0.000 1.246) 1.259 4.837 ( 0.595 0.000 -3.195) 3.250 4.868 ( 0.353 0.000 2.612) 2.636 4.948 ( -3.471 0.000 6.709) 7.554 5.027 ( 4.578 0.000 -5.914) 7.479 5.115 ( 0.409 0.000 -1.276) 1.340 5.193 ( 1.418 0.000 -0.927) 1.694 5.226 ( -1.386 0.000 3.247) 3.531 5.234 ( 1.569 0.000 -1.008) 1.865 5.308 ( -0.297 0.000 -0.657) 0.721 5.324 ( 0.946 0.000 1.562) 1.826 5.406 ( -4.166 0.000 -0.265) 4.175 5.577 ( -0.079 0.000 -0.432) 0.439 5.643 ( -0.470 0.000 0.603) 0.764 5.674 ( 0.331 0.000 -2.321) 2.345 5.690 ( 3.519 0.000 -0.479) 3.552 5.763 ( -3.572 0.000 -0.194) 3.577 5.769 ( -0.421 0.000 1.940) 1.985 5.830 ( -3.080 0.000 -0.154) 3.084 5.911 ( -0.127 0.000 6.506) 6.507 5.961 ( 1.565 0.000 -1.272) 2.017 5.964 ( 1.720 0.000 -1.937) 2.591 5.981 ( 0.503 0.000 -1.415) 1.502 6.068 ( 1.043 0.000 -1.200) 1.590 6.102 ( 2.634 0.000 -0.141) 2.638 6.137 ( 1.721 0.000 -2.732) 3.229 6.194 ( 2.354 0.000 3.587) 4.290 6.348 ( 7.914 0.000 -0.732) 7.948 6.398 ( 8.519 0.000 2.168) 8.791 6.551 ( -4.889 0.000 -1.119) 5.016 6.579 ( -4.559 0.000 -3.534) 5.768 6.715 ( -3.034 0.000 -1.552) 3.408 6.819 ( -4.647 0.000 3.566) 5.857 6.896 ( 0.723 0.000 -2.220) 2.334 6.941 ( -0.579 0.000 4.697) 4.733 7.047 ( 1.594 0.000 4.579) 4.849 7.105 ( -7.001 0.000 -3.896) 8.012 7.113 ( 8.443 0.000 -3.312) 9.069 7.275 ( -3.331 0.000 3.973) 5.185 7.374 ( -2.255 0.000 -3.910) 4.514 7.507 ( -2.808 0.000 0.860) 2.936 7.717 ( 2.819 0.000 0.465) 2.857 7.738 ( 7.019 0.000 -0.469) 7.035 7.761 ( 3.693 0.000 -0.719) 3.762 7.814 ( 7.739 0.000 -0.151) 7.740 9.173 ( -1.078 0.000 0.797) 1.340 9.175 ( -1.203 0.000 -0.663) 1.374 9.248 ( 0.028 0.000 0.586) 0.587 9.264 ( -0.429 0.000 0.347) 0.552 13.032 ( -1.291 0.000 -0.442) 1.365 13.041 ( -1.499 0.000 0.722) 1.663 13.233 ( 0.107 0.000 -0.731) 0.739 13.250 ( 0.160 0.000 0.480) 0.506 14.046 ( -1.141 0.000 0.565) 1.274 14.100 ( -1.850 0.000 0.343) 1.882 14.166 ( 4.715 0.000 -2.094) 5.159 14.214 ( 2.991 0.000 1.929) 3.559 15.266 ( -2.056 0.000 0.847) 2.224 15.305 ( -0.571 0.000 -0.891) 1.058 15.422 ( 0.200 0.000 0.248) 0.318 15.472 ( 2.067 0.000 -0.327) 2.093 15.614 ( -0.836 0.000 -3.557) 3.653 15.633 ( -1.931 0.000 3.306) 3.829 15.693 ( -0.820 0.000 -1.500) 1.709 15.694 ( -1.203 0.000 0.632) 1.359 16.329 ( -1.152 0.000 4.306) 4.458 16.390 ( 3.796 0.000 -4.122) 5.604 16.731 ( -1.903 0.000 -0.581) 1.990 16.805 ( -0.317 0.000 3.324) 3.339 17.093 ( -0.564 0.000 0.470) 0.734 17.097 ( -0.588 0.000 -0.679) 0.898 17.106 ( -0.650 0.000 0.422) 0.776 17.145 ( 0.494 0.000 0.025) 0.495 17.670 ( -1.657 0.000 1.524) 2.251 17.701 ( -0.665 0.000 -0.667) 0.942 17.745 ( 1.534 0.000 -0.403) 1.586 17.764 ( 2.900 0.000 -1.189) 3.134 17.943 ( 0.277 0.000 -2.749) 2.763 17.952 ( -1.019 0.000 2.267) 2.485 18.284 ( -2.453 0.000 -1.704) 2.987 18.312 ( -2.580 0.000 -0.029) 2.581 18.543 ( -1.778 0.000 2.723) 3.252 18.549 ( 1.570 0.000 -3.368) 3.716 18.730 ( -1.748 0.000 1.248) 2.148 18.796 ( 1.657 0.000 -0.904) 1.888 19.085 ( -2.207 0.000 0.236) 2.220 19.131 ( -1.730 0.000 -0.106) 1.733 19.574 ( -2.200 0.000 -9.010) 9.275 19.588 ( -5.196 0.000 7.624) 9.226 ======================= Grid point 94 (43/56) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 13.036 0.000 -8.372) 15.493 0.956 ( 13.098 0.000 -10.468) 16.767 1.136 ( 6.983 0.000 14.136) 15.767 1.150 ( 2.113 0.000 2.106) 2.983 1.268 ( -4.714 0.000 6.565) 8.083 1.385 ( -6.087 0.000 2.429) 6.554 1.477 ( 3.836 0.000 -7.794) 8.686 1.507 ( 2.844 0.000 0.204) 2.851 1.567 ( 4.117 0.000 1.031) 4.244 1.603 ( 1.565 0.000 -0.730) 1.727 1.734 ( 3.494 0.000 -6.795) 7.640 1.784 ( 1.714 0.000 1.893) 2.554 1.872 ( 3.899 0.000 -0.633) 3.950 1.938 ( 4.295 0.000 2.607) 5.024 2.022 ( 4.761 0.000 -0.916) 4.848 2.055 ( 5.177 0.000 -5.900) 7.849 2.231 ( 5.834 0.000 -4.860) 7.593 2.259 ( 3.389 0.000 2.170) 4.024 2.346 ( -4.150 0.000 0.886) 4.244 2.396 ( -0.566 0.000 -0.823) 0.999 2.451 ( -0.480 0.000 1.181) 1.275 2.483 ( -1.025 0.000 3.802) 3.938 2.484 ( -0.395 0.000 -1.820) 1.862 2.508 ( -4.710 0.000 5.158) 6.985 2.753 ( -0.784 0.000 -3.099) 3.197 2.796 ( -7.003 0.000 4.877) 8.534 2.803 ( 5.862 0.000 1.262) 5.996 2.814 ( 2.222 0.000 0.536) 2.285 2.929 ( -2.983 0.000 4.701) 5.567 2.989 ( -0.269 0.000 -4.729) 4.737 3.030 ( -0.916 0.000 -3.180) 3.310 3.080 ( -2.769 0.000 0.142) 2.773 3.181 ( -3.423 0.000 -3.399) 4.823 3.211 ( -6.521 0.000 2.242) 6.896 3.278 ( -4.984 0.000 2.061) 5.394 3.338 ( -1.396 0.000 3.511) 3.778 3.348 ( -0.424 0.000 -2.362) 2.400 3.421 ( -6.750 0.000 -1.341) 6.882 3.612 ( -1.556 0.000 0.454) 1.621 3.618 ( -1.741 0.000 0.810) 1.920 3.670 ( 1.482 0.000 2.900) 3.257 3.718 ( 3.343 0.000 -1.512) 3.669 3.760 ( -0.575 0.000 1.352) 1.469 3.791 ( -1.257 0.000 0.905) 1.548 3.827 ( -1.983 0.000 1.164) 2.299 3.843 ( -1.660 0.000 -4.264) 4.576 4.017 ( 1.513 0.000 -1.511) 2.138 4.031 ( 0.091 0.000 1.340) 1.343 4.147 ( 1.993 0.000 -5.680) 6.019 4.249 ( -3.373 0.000 1.932) 3.887 4.260 ( -1.425 0.000 5.624) 5.802 4.398 ( -4.250 0.000 -1.323) 4.451 4.460 ( 0.584 0.000 -1.854) 1.944 4.474 ( 0.170 0.000 2.762) 2.768 4.629 ( -2.471 0.000 -0.093) 2.473 4.670 ( -4.957 0.000 -0.778) 5.018 4.821 ( 0.421 0.000 -3.217) 3.244 4.863 ( -2.023 0.000 1.707) 2.647 4.951 ( -0.505 0.000 7.840) 7.856 5.045 ( 1.163 0.000 -6.933) 7.030 5.128 ( -0.040 0.000 1.746) 1.747 5.168 ( -0.362 0.000 -5.051) 5.064 5.223 ( 0.093 0.000 1.256) 1.260 5.259 ( 0.419 0.000 -1.829) 1.876 5.315 ( 0.998 0.000 0.427) 1.085 5.352 ( -2.102 0.000 3.131) 3.771 5.416 ( 5.910 0.000 3.358) 6.797 5.590 ( 2.963 0.000 -1.736) 3.434 5.657 ( -1.294 0.000 -3.806) 4.020 5.657 ( 0.744 0.000 0.710) 1.029 5.696 ( -2.800 0.000 1.078) 3.001 5.750 ( -4.411 0.000 1.875) 4.793 5.766 ( 3.546 0.000 -2.617) 4.407 5.782 ( -0.255 0.000 2.422) 2.435 5.932 ( -0.561 0.000 3.397) 3.443 5.964 ( -0.527 0.000 0.027) 0.528 5.984 ( 1.178 0.000 -2.518) 2.780 5.985 ( 0.445 0.000 -0.835) 0.946 6.092 ( 2.182 0.000 0.123) 2.186 6.131 ( 0.740 0.000 -0.390) 0.837 6.184 ( 4.171 0.000 -1.639) 4.482 6.252 ( 1.207 0.000 1.403) 1.851 6.457 ( -1.669 0.000 -2.541) 3.040 6.482 ( -0.834 0.000 -0.712) 1.097 6.510 ( 6.644 0.000 1.251) 6.761 6.609 ( 5.807 0.000 1.783) 6.075 6.663 ( -0.567 0.000 -0.669) 0.877 6.717 ( -6.080 0.000 1.927) 6.378 6.864 ( -4.000 0.000 -0.695) 4.060 6.921 ( -4.340 0.000 2.689) 5.105 6.977 ( -1.335 0.000 -5.209) 5.378 7.039 ( -3.688 0.000 2.200) 4.295 7.260 ( 7.417 0.000 -2.834) 7.940 7.285 ( 3.382 0.000 1.654) 3.765 7.349 ( 0.578 0.000 -0.743) 0.942 7.449 ( -2.882 0.000 0.122) 2.884 7.756 ( 0.492 0.000 1.168) 1.267 7.786 ( 0.364 0.000 -1.588) 1.629 7.918 ( 7.840 0.000 1.753) 8.033 7.955 ( 6.170 0.000 -0.877) 6.233 9.142 ( -1.255 0.000 -0.588) 1.386 9.153 ( -1.346 0.000 0.588) 1.469 9.244 ( -1.281 0.000 -0.150) 1.290 9.244 ( -1.290 0.000 1.102) 1.697 13.009 ( -0.603 0.000 -0.485) 0.774 13.017 ( -1.319 0.000 1.021) 1.667 13.233 ( 0.339 0.000 -0.554) 0.650 13.249 ( -0.414 0.000 0.175) 0.449 14.043 ( 0.139 0.000 0.563) 0.579 14.072 ( -1.181 0.000 0.068) 1.183 14.239 ( 3.987 0.000 -2.602) 4.761 14.272 ( 0.861 0.000 3.345) 3.454 15.244 ( -0.890 0.000 1.852) 2.055 15.278 ( -0.938 0.000 -2.058) 2.262 15.445 ( 1.158 0.000 2.504) 2.759 15.508 ( 2.098 0.000 -2.331) 3.137 15.568 ( -1.259 0.000 -2.951) 3.209 15.606 ( -2.612 0.000 2.733) 3.780 15.669 ( -0.716 0.000 -0.766) 1.049 15.674 ( -0.927 0.000 -0.115) 0.934 16.352 ( 0.543 0.000 4.772) 4.803 16.422 ( 1.950 0.000 -5.205) 5.559 16.707 ( 0.069 0.000 0.305) 0.313 16.793 ( -2.874 0.000 2.763) 3.986 17.081 ( -0.300 0.000 -0.859) 0.910 17.093 ( -0.895 0.000 0.487) 1.019 17.096 ( 0.391 0.000 0.531) 0.660 17.135 ( -0.712 0.000 -1.329) 1.508 17.660 ( -0.572 0.000 2.058) 2.136 17.683 ( -0.482 0.000 -1.352) 1.435 17.786 ( 2.051 0.000 1.367) 2.465 17.808 ( 2.223 0.000 -1.504) 2.685 17.935 ( 0.699 0.000 -2.766) 2.853 17.944 ( -1.175 0.000 2.309) 2.590 18.232 ( -1.255 0.000 -2.344) 2.659 18.253 ( -3.029 0.000 0.496) 3.069 18.523 ( -1.223 0.000 1.806) 2.181 18.547 ( 0.297 0.000 -3.815) 3.827 18.732 ( 0.355 0.000 4.110) 4.125 18.809 ( 0.453 0.000 -2.641) 2.680 19.053 ( -1.716 0.000 1.693) 2.410 19.075 ( -1.750 0.000 -3.749) 4.138 19.503 ( 1.301 0.000 -9.043) 9.137 19.539 ( -4.721 0.000 7.923) 9.223 ======================= Grid point 95 (44/56) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -3.011 0.000 -0.117) 3.013 1.090 ( 3.011 0.000 0.117) 3.013 1.125 ( -2.695 0.000 -1.233) 2.964 1.125 ( 2.695 0.000 1.233) 2.964 1.303 ( -2.443 0.000 -6.377) 6.829 1.303 ( 2.443 0.000 6.377) 6.829 1.503 ( -1.831 0.000 -0.652) 1.944 1.503 ( 1.831 0.000 0.652) 1.944 1.629 ( 1.344 0.000 -6.377) 6.517 1.629 ( -1.344 0.000 6.377) 6.517 1.771 ( 3.371 0.000 -3.286) 4.708 1.771 ( -3.371 0.000 3.286) 4.708 1.928 ( -1.873 0.000 0.310) 1.899 1.928 ( 1.873 0.000 -0.310) 1.899 2.120 ( -2.943 0.000 0.816) 3.054 2.120 ( 2.943 0.000 -0.816) 3.054 2.285 ( 1.362 0.000 -3.340) 3.607 2.285 ( -1.362 0.000 3.340) 3.607 2.352 ( 5.671 0.000 -2.709) 6.285 2.352 ( -5.671 0.000 2.709) 6.285 2.449 ( 1.103 0.000 -0.902) 1.425 2.449 ( -1.103 0.000 0.902) 1.425 2.496 ( 2.305 0.000 -5.962) 6.392 2.496 ( -2.305 0.000 5.962) 6.392 2.724 ( 1.217 0.000 -3.414) 3.624 2.724 ( -1.217 0.000 3.414) 3.624 2.886 ( -3.855 0.000 -1.196) 4.036 2.886 ( 3.855 0.000 1.196) 4.036 2.923 ( 1.742 0.000 -2.230) 2.830 2.923 ( -1.742 0.000 2.230) 2.830 3.013 ( 3.212 0.000 -4.226) 5.308 3.013 ( -3.212 0.000 4.226) 5.308 3.135 ( 1.822 0.000 -1.536) 2.384 3.135 ( -1.822 0.000 1.536) 2.384 3.297 ( -3.907 0.000 -2.837) 4.829 3.297 ( 3.907 0.000 2.837) 4.829 3.334 ( 1.072 0.000 -3.986) 4.127 3.334 ( -1.072 0.000 3.986) 4.127 3.592 ( 0.261 0.000 -1.225) 1.252 3.592 ( -0.261 0.000 1.225) 1.252 3.731 ( -2.289 0.000 -2.921) 3.711 3.731 ( 2.289 0.000 2.921) 3.711 3.771 ( -1.859 0.000 0.157) 1.865 3.771 ( 1.859 0.000 -0.157) 1.865 3.806 ( 0.558 0.000 -1.263) 1.381 3.806 ( -0.558 0.000 1.263) 1.381 4.031 ( 0.918 0.000 -1.657) 1.894 4.031 ( -0.918 0.000 1.657) 1.894 4.181 ( 4.586 0.000 -5.051) 6.822 4.181 ( -4.586 0.000 5.051) 6.822 4.308 ( -2.744 0.000 -3.375) 4.350 4.308 ( 2.744 0.000 3.375) 4.350 4.488 ( 2.369 0.000 -3.710) 4.402 4.488 ( -2.369 0.000 3.710) 4.402 4.595 ( -0.081 0.000 -1.280) 1.282 4.595 ( 0.081 0.000 1.280) 1.282 4.830 ( 2.081 0.000 -2.068) 2.934 4.830 ( -2.081 0.000 2.068) 2.934 5.003 ( -0.385 0.000 -7.725) 7.735 5.003 ( 0.385 0.000 7.725) 7.735 5.138 ( 0.402 0.000 -4.307) 4.326 5.138 ( -0.402 0.000 4.307) 4.326 5.242 ( -0.632 0.000 -1.713) 1.826 5.242 ( 0.632 0.000 1.713) 1.826 5.336 ( 1.151 0.000 -1.004) 1.527 5.336 ( -1.151 0.000 1.004) 1.527 5.558 ( -5.331 0.000 -4.787) 7.165 5.558 ( 5.331 0.000 4.787) 7.165 5.656 ( 3.296 0.000 -1.496) 3.619 5.656 ( -3.296 0.000 1.496) 3.619 5.678 ( -1.101 0.000 0.161) 1.112 5.678 ( 1.101 0.000 -0.161) 1.112 5.794 ( 1.645 0.000 -4.370) 4.669 5.794 ( -1.645 0.000 4.370) 4.669 5.947 ( -1.093 0.000 0.129) 1.100 5.947 ( 1.093 0.000 -0.129) 1.100 5.986 ( 0.096 0.000 -0.367) 0.380 5.986 ( -0.096 0.000 0.367) 0.380 6.129 ( 1.349 0.000 -1.043) 1.705 6.129 ( -1.349 0.000 1.043) 1.705 6.248 ( -2.002 0.000 0.054) 2.003 6.248 ( 2.002 0.000 -0.054) 2.003 6.450 ( -1.792 0.000 0.488) 1.857 6.450 ( 1.792 0.000 -0.488) 1.857 6.627 ( -1.189 0.000 -0.398) 1.254 6.627 ( 1.189 0.000 0.398) 1.254 6.665 ( -2.350 0.000 -1.833) 2.981 6.665 ( 2.350 0.000 1.833) 2.981 6.839 ( -3.941 0.000 0.440) 3.965 6.839 ( 3.941 0.000 -0.440) 3.965 6.980 ( 3.051 0.000 -2.647) 4.039 6.980 ( -3.051 0.000 2.647) 4.039 7.328 ( 1.099 0.000 -2.296) 2.546 7.328 ( -1.099 0.000 2.296) 2.546 7.397 ( -2.966 0.000 -0.611) 3.028 7.397 ( 2.966 0.000 0.611) 3.028 7.768 ( -0.460 0.000 -1.652) 1.715 7.768 ( 0.460 0.000 1.652) 1.715 8.012 ( -0.338 0.000 -1.282) 1.326 8.012 ( 0.338 0.000 1.282) 1.326 9.133 ( 0.653 0.000 -0.257) 0.701 9.133 ( -0.653 0.000 0.257) 0.701 9.229 ( 0.409 0.000 -0.716) 0.825 9.229 ( -0.409 0.000 0.716) 0.825 13.004 ( 0.545 0.000 -0.824) 0.988 13.004 ( -0.545 0.000 0.824) 0.988 13.240 ( 0.573 0.000 -0.224) 0.615 13.240 ( -0.573 0.000 0.224) 0.615 14.054 ( -0.696 0.000 -0.219) 0.730 14.054 ( 0.696 0.000 0.219) 0.730 14.281 ( 1.936 0.000 -3.167) 3.712 14.281 ( -1.936 0.000 3.167) 3.712 15.252 ( -0.198 0.000 -2.383) 2.391 15.252 ( 0.198 0.000 2.383) 2.391 15.491 ( -1.215 0.000 -3.895) 4.080 15.491 ( 1.215 0.000 3.895) 4.080 15.570 ( 2.382 0.000 -1.917) 3.058 15.570 ( -2.382 0.000 1.917) 3.058 15.661 ( -0.135 0.000 -0.191) 0.233 15.661 ( 0.135 0.000 0.191) 0.233 16.399 ( -0.663 0.000 -5.253) 5.295 16.399 ( 0.663 0.000 5.253) 5.295 16.741 ( -3.070 0.000 0.827) 3.180 16.741 ( 3.070 0.000 -0.827) 3.180 17.080 ( 0.675 0.000 -0.736) 0.998 17.080 ( -0.675 0.000 0.736) 0.998 17.112 ( -0.709 0.000 -1.105) 1.313 17.112 ( 0.709 0.000 1.105) 1.313 17.668 ( -0.010 0.000 -1.938) 1.938 17.668 ( 0.010 0.000 1.938) 1.938 17.821 ( -0.014 0.000 -2.020) 2.020 17.821 ( 0.014 0.000 2.020) 2.020 17.937 ( 1.056 0.000 -2.456) 2.674 17.937 ( -1.056 0.000 2.456) 2.674 18.217 ( 1.112 0.000 -1.674) 2.010 18.217 ( -1.112 0.000 1.674) 2.010 18.526 ( 0.017 0.000 -2.793) 2.793 18.526 ( -0.017 0.000 2.793) 2.793 18.778 ( -1.025 0.000 -4.647) 4.759 18.778 ( 1.025 0.000 4.647) 4.759 19.043 ( 0.559 0.000 -2.896) 2.950 19.043 ( -0.559 0.000 2.896) 2.950 19.504 ( 3.693 0.000 -7.852) 8.677 19.504 ( -3.693 0.000 7.852) 8.677 ======================= Grid point 99 (45/56) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -1.485 9.988 -13.232) 16.645 0.778 ( 1.485 9.988 13.232) 16.645 0.946 ( -0.434 13.143 -13.759) 19.032 0.946 ( 0.434 13.143 13.759) 19.032 1.388 ( 0.155 2.519 -4.138) 4.847 1.388 ( -0.155 2.519 4.138) 4.847 1.521 ( 0.196 6.283 -5.616) 8.430 1.521 ( -0.196 6.283 5.616) 8.430 1.615 ( 0.609 2.996 -5.716) 6.482 1.615 ( -0.609 2.996 5.716) 6.482 1.732 ( 1.383 4.831 -0.808) 5.089 1.732 ( -1.383 4.831 0.808) 5.089 1.795 ( 4.364 3.746 -5.855) 8.207 1.795 ( -4.364 3.746 5.855) 8.207 1.973 ( -2.839 1.542 -2.245) 3.934 1.973 ( 2.839 1.542 2.245) 3.934 2.192 ( -0.446 5.531 -5.233) 7.628 2.192 ( 0.446 5.531 5.233) 7.628 2.333 ( 2.731 -1.594 -3.923) 5.038 2.333 ( -2.731 -1.594 3.923) 5.038 2.530 ( 1.371 4.204 -3.759) 5.804 2.530 ( -1.371 4.204 3.759) 5.804 2.624 ( -0.582 3.695 -2.122) 4.301 2.624 ( 0.582 3.695 2.122) 4.301 2.717 ( 0.776 -1.633 -3.528) 3.964 2.717 ( -0.776 -1.633 3.528) 3.964 2.896 ( 1.516 2.570 -7.396) 7.975 2.896 ( -1.516 2.570 7.396) 7.975 3.040 ( -4.083 -2.962 -3.363) 6.062 3.040 ( 4.083 -2.962 3.363) 6.062 3.106 ( -1.361 2.136 -3.369) 4.215 3.106 ( 1.361 2.136 3.369) 4.215 3.323 ( -1.813 3.749 -4.103) 5.846 3.323 ( 1.813 3.749 4.103) 5.846 3.411 ( -1.977 -3.538 -2.800) 4.926 3.411 ( 1.977 -3.538 2.800) 4.926 3.447 ( -2.419 0.481 -1.097) 2.700 3.447 ( 2.419 0.481 1.097) 2.700 3.569 ( -0.674 -0.405 -1.830) 1.992 3.569 ( 0.674 -0.405 1.830) 1.992 3.680 ( -3.946 0.638 0.270) 4.006 3.680 ( 3.946 0.638 -0.270) 4.006 3.863 ( -3.043 0.057 -4.554) 5.478 3.863 ( 3.043 0.057 4.554) 5.478 3.930 ( -1.143 0.979 -0.332) 1.541 3.930 ( 1.143 0.979 0.332) 1.541 3.987 ( -1.556 1.578 -1.689) 2.786 3.987 ( 1.556 1.578 1.689) 2.786 4.161 ( -0.533 -3.175 -4.566) 5.587 4.161 ( 0.533 -3.175 4.566) 5.587 4.329 ( -2.371 -4.858 -2.595) 5.996 4.329 ( 2.371 -4.858 2.595) 5.996 4.585 ( -2.207 1.150 -2.395) 3.454 4.585 ( 2.207 1.150 2.395) 3.454 4.690 ( -3.095 -0.819 -0.483) 3.238 4.690 ( 3.095 -0.819 0.483) 3.238 4.855 ( 0.872 1.959 -3.695) 4.272 4.855 ( -0.872 1.959 3.695) 4.272 5.005 ( 1.530 1.635 -3.722) 4.343 5.005 ( -1.530 1.635 3.722) 4.343 5.147 ( -2.810 -0.337 -1.287) 3.109 5.147 ( 2.810 -0.337 1.287) 3.109 5.221 ( 0.286 -0.049 -3.655) 3.666 5.221 ( -0.286 -0.049 3.655) 3.666 5.314 ( 0.219 -0.273 -1.462) 1.504 5.314 ( -0.219 -0.273 1.462) 1.504 5.530 ( -2.491 1.134 -2.680) 3.831 5.530 ( 2.491 1.134 2.680) 3.831 5.625 ( -0.875 -2.581 -1.822) 3.278 5.625 ( 0.875 -2.581 1.822) 3.278 5.716 ( -1.637 -1.464 -2.067) 3.016 5.716 ( 1.637 -1.464 2.067) 3.016 5.810 ( -2.723 -2.335 -0.858) 3.688 5.810 ( 2.723 -2.335 0.858) 3.688 5.891 ( -2.215 -1.750 -0.348) 2.845 5.891 ( 2.215 -1.750 0.348) 2.845 5.946 ( -0.014 -2.154 -1.329) 2.531 5.946 ( 0.014 -2.154 1.329) 2.531 6.092 ( -2.807 3.144 0.416) 4.235 6.092 ( 2.807 3.144 -0.416) 4.235 6.162 ( -1.176 1.530 -2.968) 3.540 6.162 ( 1.176 1.530 2.968) 3.540 6.324 ( -0.737 3.654 -3.451) 5.079 6.324 ( 0.737 3.654 3.451) 5.079 6.614 ( -2.383 -2.011 -1.994) 3.701 6.614 ( 2.383 -2.011 1.994) 3.701 6.777 ( -0.920 -3.192 -5.759) 6.649 6.777 ( 0.920 -3.192 5.759) 6.649 6.885 ( 1.569 -0.171 -2.087) 2.616 6.885 ( -1.569 -0.171 2.087) 2.616 7.026 ( -0.300 0.631 -0.368) 0.790 7.026 ( 0.300 0.631 0.368) 0.790 7.249 ( -2.210 0.043 -2.959) 3.694 7.249 ( 2.210 0.043 2.959) 3.694 7.442 ( -5.022 -4.195 -1.091) 6.634 7.442 ( 5.022 -4.195 1.091) 6.634 7.686 ( -4.777 0.565 0.206) 4.815 7.686 ( 4.777 0.565 -0.206) 4.815 7.751 ( -2.676 2.587 -1.292) 3.940 7.751 ( 2.676 2.587 1.292) 3.940 9.179 ( -0.951 -0.426 -0.901) 1.378 9.179 ( 0.951 -0.426 0.901) 1.378 9.262 ( -1.612 0.599 -1.077) 2.029 9.262 ( 1.612 0.599 1.077) 2.029 13.040 ( -0.239 -1.051 -0.573) 1.220 13.040 ( 0.239 -1.051 0.573) 1.220 13.231 ( -0.321 -0.701 -0.750) 1.075 13.231 ( 0.321 -0.701 0.750) 1.075 14.083 ( -3.083 -0.414 0.474) 3.147 14.083 ( 3.083 -0.414 -0.474) 3.147 14.138 ( -2.778 -0.901 -0.453) 2.955 14.138 ( 2.778 -0.901 0.453) 2.955 15.302 ( -1.852 0.033 -0.004) 1.852 15.302 ( 1.852 0.033 0.004) 1.852 15.409 ( -1.645 -1.754 -0.550) 2.467 15.409 ( 1.645 -1.754 0.550) 2.467 15.614 ( 0.373 -2.067 -2.716) 3.434 15.614 ( -0.373 -2.067 2.716) 3.434 15.703 ( 0.404 -0.258 -1.087) 1.188 15.703 ( -0.404 -0.258 1.087) 1.188 16.347 ( 2.855 0.532 -3.329) 4.417 16.347 ( -2.855 0.532 3.329) 4.417 16.762 ( -1.377 -1.408 -2.832) 3.449 16.762 ( 1.377 -1.408 2.832) 3.449 17.093 ( -0.919 -1.494 -0.449) 1.811 17.093 ( 0.919 -1.494 0.449) 1.811 17.133 ( -1.147 1.227 -2.336) 2.877 17.133 ( 1.147 1.227 2.336) 2.877 17.674 ( 1.587 -1.431 -1.483) 2.601 17.674 ( -1.587 -1.431 1.483) 2.601 17.739 ( -0.257 0.512 -0.021) 0.574 17.739 ( 0.257 0.512 0.021) 0.574 18.019 ( 0.979 5.059 -3.438) 6.195 18.019 ( -0.979 5.059 3.438) 6.195 18.334 ( -0.794 0.656 -2.040) 2.286 18.334 ( 0.794 0.656 2.040) 2.286 18.585 ( 0.071 2.938 -2.393) 3.790 18.585 ( -0.071 2.938 2.393) 3.790 18.766 ( 1.178 0.163 -0.783) 1.424 18.766 ( -1.178 0.163 0.783) 1.424 19.105 ( -0.849 -1.659 -2.696) 3.277 19.105 ( 0.849 -1.659 2.696) 3.277 19.660 ( 1.573 2.499 -4.915) 5.734 19.660 ( -1.573 2.499 4.915) 5.734 ======================= Grid point 101 (46/56) ======================= q-point: ( 0.17 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 4.779 5.103 -10.591) 12.690 0.865 ( 3.735 6.239 7.106) 10.167 1.018 ( 10.486 8.115 -7.056) 15.020 1.109 ( 2.759 10.272 12.589) 16.480 1.339 ( -1.549 2.560 1.438) 3.320 1.436 ( -0.517 4.667 0.026) 4.696 1.442 ( 4.443 1.859 -8.563) 9.824 1.553 ( 4.083 3.761 -6.431) 8.495 1.578 ( -4.788 4.191 3.301) 7.169 1.644 ( -0.664 4.116 3.611) 5.516 1.724 ( 1.689 3.133 0.201) 3.565 1.769 ( 3.221 5.943 0.906) 6.820 1.818 ( 3.376 4.646 -4.504) 7.299 1.848 ( 1.237 1.125 -0.616) 1.782 1.926 ( 2.808 -2.309 -2.471) 4.396 2.078 ( 2.241 3.017 -1.110) 3.919 2.195 ( 3.618 2.962 -0.791) 4.743 2.260 ( 3.031 6.085 0.055) 6.798 2.313 ( -0.655 -3.097 5.203) 6.090 2.366 ( 1.432 -0.205 -3.293) 3.597 2.485 ( -2.679 1.631 0.722) 3.218 2.498 ( -1.651 3.709 -2.829) 4.948 2.605 ( -2.002 3.252 2.460) 4.542 2.659 ( -2.050 -3.095 2.823) 4.664 2.671 ( 0.135 5.750 1.496) 5.943 2.771 ( 1.756 -0.689 1.224) 2.248 2.832 ( -4.045 1.263 -3.108) 5.255 2.892 ( -2.429 2.162 4.437) 5.501 2.957 ( -0.532 -3.172 -5.259) 6.165 3.042 ( -3.624 3.481 -0.045) 5.025 3.103 ( 1.588 2.675 -0.071) 3.111 3.150 ( 0.842 0.808 0.933) 1.494 3.238 ( -4.346 1.204 -0.359) 4.524 3.289 ( -7.632 -4.671 0.075) 8.948 3.348 ( -2.573 3.819 3.522) 5.797 3.364 ( -4.315 -1.256 -1.943) 4.896 3.427 ( -1.260 0.539 0.239) 1.392 3.491 ( 0.568 -2.032 0.199) 2.119 3.582 ( 1.296 -1.383 2.341) 3.012 3.609 ( -0.169 1.307 2.198) 2.563 3.637 ( 1.513 1.820 -0.782) 2.493 3.737 ( -4.395 -1.331 -2.486) 5.222 3.757 ( 3.434 0.725 -0.239) 3.517 3.864 ( -3.156 1.533 0.045) 3.509 3.895 ( -2.000 2.908 1.290) 3.758 3.934 ( -2.053 2.905 -0.425) 3.583 4.007 ( 1.769 0.943 -0.607) 2.095 4.028 ( 2.088 1.153 1.749) 2.958 4.135 ( 0.444 -2.149 -2.790) 3.550 4.205 ( 1.611 -1.249 2.497) 3.223 4.280 ( -0.977 -4.634 -1.485) 4.963 4.381 ( 0.575 -3.862 4.250) 5.771 4.504 ( -2.814 0.968 -3.063) 4.270 4.594 ( -2.285 4.108 -0.926) 4.791 4.646 ( -1.741 -1.770 0.472) 2.527 4.746 ( 0.226 1.219 1.115) 1.668 4.841 ( 0.313 0.622 -1.705) 1.841 4.878 ( 0.066 0.897 2.981) 3.114 4.971 ( -2.883 2.139 1.581) 3.923 5.023 ( 1.305 -0.333 -2.894) 3.192 5.094 ( -0.806 -1.881 -0.766) 2.186 5.185 ( -1.281 -1.600 -0.152) 2.055 5.211 ( 2.234 0.693 0.307) 2.359 5.259 ( 1.182 1.075 1.381) 2.112 5.300 ( -1.074 -0.496 -0.257) 1.211 5.330 ( 2.080 0.287 -0.236) 2.113 5.443 ( -3.549 2.661 -0.557) 4.471 5.525 ( -1.633 -2.639 -0.224) 3.112 5.649 ( 1.261 -2.453 -0.111) 2.760 5.655 ( 1.060 -0.268 -1.507) 1.862 5.681 ( 1.695 -0.310 0.304) 1.750 5.731 ( -1.373 -1.755 0.400) 2.263 5.764 ( -1.265 -1.289 0.480) 1.869 5.836 ( -1.536 0.043 -1.623) 2.235 5.878 ( 0.459 -2.775 2.666) 3.876 5.917 ( 0.474 -3.100 -0.083) 3.137 5.932 ( 0.223 -2.182 0.426) 2.234 5.997 ( 3.809 -1.268 0.544) 4.051 6.051 ( -1.776 1.350 0.394) 2.265 6.132 ( 0.283 -0.346 -2.744) 2.781 6.164 ( 2.686 3.345 0.360) 4.305 6.215 ( 2.531 1.820 1.562) 3.487 6.357 ( 4.716 1.319 -1.694) 5.181 6.418 ( 4.611 0.653 1.438) 4.874 6.506 ( -3.287 -1.380 -2.019) 4.097 6.609 ( -0.623 1.460 0.297) 1.615 6.714 ( -2.384 -0.561 -1.299) 2.773 6.815 ( -1.476 -1.435 1.589) 2.600 6.891 ( 0.429 0.387 0.388) 0.696 6.954 ( 3.690 0.785 -0.504) 3.807 7.025 ( 0.227 -0.162 1.874) 1.895 7.097 ( 4.822 -1.140 -1.469) 5.168 7.141 ( -4.438 1.487 -0.225) 4.686 7.282 ( -2.122 0.860 2.972) 3.752 7.339 ( -2.218 -3.458 -3.362) 5.308 7.537 ( 0.896 1.631 0.311) 1.886 7.643 ( 0.615 -4.025 0.314) 4.084 7.711 ( 3.266 -1.843 -0.284) 3.761 7.806 ( 1.808 -0.122 0.778) 1.972 7.828 ( 7.628 2.508 -0.630) 8.054 9.147 ( -1.701 -1.654 -0.342) 2.397 9.179 ( -1.792 -0.016 1.119) 2.113 9.224 ( -1.372 -1.424 -0.704) 2.099 9.284 ( -0.312 0.864 0.518) 1.055 13.015 ( -1.468 -1.519 0.119) 2.116 13.031 ( -1.432 -0.702 0.063) 1.596 13.226 ( 0.269 -0.528 -0.675) 0.898 13.242 ( 0.231 -0.718 0.431) 0.868 14.041 ( -1.206 -0.457 0.544) 1.400 14.091 ( -1.865 -0.810 0.125) 2.037 14.160 ( 4.800 -0.466 -1.756) 5.132 14.205 ( 3.192 -0.741 1.678) 3.681 15.267 ( -1.731 0.116 0.917) 1.962 15.319 ( -0.370 1.188 -0.887) 1.529 15.392 ( 0.490 -2.381 0.741) 2.542 15.453 ( 2.525 -1.189 -0.486) 2.832 15.590 ( -1.068 -2.073 -2.608) 3.498 15.615 ( -1.010 -1.802 1.720) 2.687 15.685 ( -1.433 -0.039 0.461) 1.506 15.698 ( -0.708 -0.239 -0.446) 0.870 16.330 ( -1.074 0.391 3.673) 3.847 16.392 ( 3.630 0.420 -3.760) 5.243 16.711 ( -2.261 -1.911 -1.390) 3.271 16.790 ( -0.911 -1.748 3.707) 4.199 17.064 ( -1.289 -2.154 -0.323) 2.531 17.098 ( -0.556 0.486 -0.720) 1.031 17.110 ( 0.263 -0.038 -1.079) 1.111 17.164 ( 0.009 0.817 1.909) 2.076 17.660 ( -0.633 -0.399 1.643) 1.805 17.693 ( 0.788 -0.899 -1.558) 1.964 17.738 ( 0.999 0.181 -0.416) 1.097 17.754 ( 1.190 -0.221 -0.434) 1.286 18.009 ( -0.434 5.030 -0.047) 5.049 18.023 ( -0.244 5.197 0.359) 5.215 18.288 ( -2.060 0.985 -2.030) 3.056 18.336 ( -1.867 1.415 1.249) 2.655 18.551 ( -1.429 1.908 0.394) 2.416 18.600 ( 0.101 2.920 -1.691) 3.376 18.739 ( -1.271 0.904 1.759) 2.351 18.796 ( 1.810 0.068 -1.348) 2.258 19.068 ( -1.368 -1.160 -1.291) 2.210 19.119 ( -1.025 -0.955 1.635) 2.153 19.607 ( -2.678 2.848 -4.631) 6.061 19.628 ( -4.232 3.026 3.568) 6.309 ======================= Grid point 102 (47/56) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 13.431 -0.228 -5.546) 14.533 1.004 ( 6.654 3.492 -3.384) 8.241 1.131 ( 2.323 -0.554 -3.796) 4.485 1.199 ( 4.879 3.363 8.728) 10.550 1.349 ( -0.929 3.532 6.671) 7.605 1.396 ( -8.852 1.325 1.533) 9.081 1.432 ( 0.294 1.268 -8.604) 8.702 1.545 ( 0.269 2.011 5.437) 5.803 1.639 ( 3.759 2.777 -2.479) 5.290 1.667 ( 2.037 5.341 2.417) 6.206 1.783 ( 3.673 -1.220 -1.082) 4.019 1.809 ( 2.467 7.247 -6.664) 10.149 1.871 ( 3.926 0.591 -0.192) 3.975 1.879 ( 2.426 -2.823 2.072) 4.260 2.020 ( 6.899 -1.746 -4.003) 8.165 2.038 ( -1.632 1.767 -2.204) 3.263 2.243 ( -2.086 -3.251 1.633) 4.194 2.267 ( -2.062 -3.788 2.887) 5.190 2.346 ( -1.217 2.745 1.509) 3.360 2.360 ( 2.845 4.950 -4.890) 7.517 2.449 ( -0.826 0.799 -1.649) 2.010 2.479 ( 0.141 -1.144 1.805) 2.142 2.574 ( -1.644 6.073 1.193) 6.404 2.630 ( -2.613 2.883 -0.911) 3.996 2.686 ( 2.434 -1.475 1.063) 3.038 2.756 ( -1.201 -0.357 -1.005) 1.606 2.777 ( -3.619 -1.283 4.148) 5.653 2.884 ( -0.138 3.332 3.079) 4.538 2.946 ( 2.485 -0.768 -2.583) 3.666 3.004 ( -1.953 2.507 1.532) 3.527 3.069 ( -8.291 -2.669 -2.066) 8.951 3.091 ( -4.742 4.004 -2.829) 6.821 3.160 ( -0.123 2.508 0.085) 2.512 3.229 ( 0.783 0.870 3.195) 3.403 3.275 ( -3.424 -0.450 0.112) 3.455 3.311 ( -2.369 0.389 4.208) 4.844 3.391 ( -2.003 1.109 -1.995) 3.037 3.439 ( -4.390 2.047 -1.863) 5.190 3.607 ( 0.830 0.555 2.183) 2.400 3.640 ( 0.936 1.824 0.620) 2.142 3.669 ( 1.448 0.642 0.191) 1.595 3.719 ( 3.251 0.697 -1.448) 3.626 3.781 ( -2.393 0.743 -0.161) 2.511 3.827 ( 0.570 1.919 0.236) 2.016 3.842 ( -3.245 2.724 1.168) 4.395 3.897 ( -1.596 3.917 -0.903) 4.325 4.017 ( 0.369 0.381 -0.804) 0.963 4.051 ( -1.042 0.787 1.167) 1.751 4.149 ( 2.948 0.683 -2.265) 3.780 4.252 ( -0.094 -0.887 -0.516) 1.031 4.269 ( 1.436 1.076 3.237) 3.701 4.411 ( 0.312 -0.941 3.116) 3.270 4.472 ( 0.870 0.225 -1.178) 1.482 4.508 ( -4.563 5.229 -2.092) 7.249 4.605 ( -2.740 -1.531 0.421) 3.167 4.678 ( -6.246 1.080 -0.117) 6.339 4.837 ( 0.723 0.915 -1.521) 1.917 4.886 ( -0.818 1.952 0.589) 2.197 4.945 ( -1.585 -0.249 6.113) 6.320 5.009 ( -0.127 -2.245 -5.224) 5.687 5.110 ( 2.046 -2.566 -2.215) 3.959 5.152 ( -1.732 -0.254 0.527) 1.828 5.248 ( 1.279 1.014 -0.263) 1.653 5.275 ( -0.604 1.103 0.776) 1.477 5.300 ( 2.108 -0.396 1.040) 2.384 5.380 ( 0.184 1.054 -2.270) 2.509 5.418 ( 2.953 1.401 3.777) 4.995 5.548 ( 3.798 -2.467 -0.081) 4.529 5.646 ( -1.190 -0.910 -3.139) 3.478 5.657 ( -0.121 -0.684 0.826) 1.079 5.678 ( -2.323 -1.672 0.336) 2.882 5.737 ( 2.082 -1.828 -1.419) 3.113 5.756 ( -2.204 -0.114 1.096) 2.464 5.790 ( -0.733 0.410 -0.195) 0.863 5.874 ( -0.165 -3.293 0.585) 3.349 5.935 ( -0.118 -2.877 -0.478) 2.919 5.948 ( 0.780 -2.553 1.473) 3.049 6.001 ( -3.077 -0.140 0.181) 3.085 6.092 ( 4.904 0.658 0.103) 4.949 6.153 ( 3.091 -2.339 -2.087) 4.402 6.204 ( 1.730 3.844 0.997) 4.332 6.261 ( 1.190 0.931 0.486) 1.587 6.369 ( -2.511 -3.695 -0.405) 4.486 6.416 ( -0.366 -2.801 -1.400) 3.153 6.571 ( 3.588 1.169 0.732) 3.844 6.659 ( 1.903 1.181 0.588) 2.315 6.681 ( 1.949 2.661 -0.153) 3.302 6.776 ( -1.095 4.066 -0.027) 4.211 6.875 ( -2.286 1.370 0.198) 2.672 6.958 ( -3.998 2.699 1.512) 5.055 7.003 ( -1.148 2.857 -2.819) 4.175 7.045 ( -3.183 0.360 1.197) 3.420 7.242 ( 6.935 -1.686 -1.625) 7.320 7.283 ( 3.915 -0.097 0.380) 3.934 7.326 ( 0.429 -1.343 -0.305) 1.443 7.481 ( -4.368 2.928 0.118) 5.260 7.680 ( 2.185 -5.576 0.389) 6.001 7.778 ( -1.063 -1.861 -0.659) 2.242 7.883 ( 7.516 -3.195 0.749) 8.201 7.959 ( 4.932 0.065 -0.002) 4.932 9.116 ( -1.004 -2.117 -0.235) 2.355 9.141 ( -2.003 -1.018 0.228) 2.258 9.198 ( -1.185 -2.808 0.448) 3.081 9.252 ( -2.855 -0.609 0.125) 2.922 12.993 ( -0.823 -1.660 0.357) 1.887 13.001 ( -1.274 -0.976 -0.045) 1.605 13.230 ( 0.436 -0.273 -0.450) 0.683 13.243 ( -0.221 -0.538 0.131) 0.596 14.035 ( 0.049 -0.626 0.503) 0.805 14.063 ( -1.151 -0.822 -0.031) 1.415 14.237 ( 4.042 -0.205 -2.320) 4.665 14.267 ( 1.195 -0.448 2.991) 3.252 15.253 ( -0.606 0.806 2.066) 2.299 15.291 ( -0.902 1.205 -2.190) 2.658 15.426 ( 1.548 -1.599 2.558) 3.391 15.497 ( 2.303 -0.665 -1.926) 3.075 15.545 ( -1.281 -2.055 -2.559) 3.523 15.595 ( -2.110 -1.208 1.656) 2.942 15.663 ( -0.871 -0.075 0.453) 0.984 15.677 ( -0.971 -0.132 -0.535) 1.117 16.351 ( 0.588 0.075 4.254) 4.295 16.423 ( 1.759 0.190 -4.995) 5.299 16.677 ( -0.167 -2.596 -0.193) 2.609 16.766 ( -3.429 -2.525 2.814) 5.104 17.053 ( 0.280 -1.586 0.191) 1.621 17.091 ( 0.341 -0.030 -1.662) 1.697 17.104 ( -0.347 0.141 0.086) 0.384 17.151 ( -1.789 0.550 0.492) 1.935 17.667 ( 0.025 0.665 1.956) 2.067 17.689 ( 0.074 0.509 -1.601) 1.681 17.767 ( 1.764 -0.776 -0.246) 1.943 17.779 ( 1.301 -1.258 -0.319) 1.837 18.005 ( -0.279 5.065 1.138) 5.199 18.017 ( -0.179 5.153 -0.679) 5.200 18.245 ( -0.824 1.515 -1.860) 2.537 18.288 ( -3.109 2.335 0.725) 3.955 18.537 ( -0.653 1.546 1.490) 2.244 18.575 ( -0.749 2.006 -3.164) 3.820 18.749 ( 0.516 1.500 3.444) 3.791 18.810 ( 0.666 0.179 -2.697) 2.784 19.045 ( -0.364 -0.074 -0.060) 0.377 19.091 ( -1.785 0.862 -0.729) 2.112 19.538 ( 0.238 2.964 -7.215) 7.804 19.570 ( -4.529 2.642 6.105) 8.047 ======================= Grid point 103 (48/56) ======================= q-point: ( 0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -1.128 -0.992 -4.194) 4.455 1.069 ( 1.128 -0.992 4.194) 4.455 1.148 ( -8.226 1.280 1.058) 8.391 1.148 ( 8.226 1.280 -1.058) 8.391 1.358 ( 3.099 3.589 -6.241) 7.838 1.358 ( -3.099 3.589 6.241) 7.838 1.459 ( -7.157 -2.322 -0.865) 7.573 1.459 ( 7.157 -2.322 0.865) 7.573 1.696 ( 1.553 4.256 -6.996) 8.335 1.696 ( -1.553 4.256 6.996) 8.335 1.827 ( 1.278 3.953 -3.643) 5.525 1.827 ( -1.278 3.953 3.643) 5.525 1.916 ( -1.031 -1.338 -1.262) 2.109 1.916 ( 1.031 -1.338 1.262) 2.109 2.035 ( 3.612 -4.679 -1.354) 6.064 2.035 ( -3.612 -4.679 1.354) 6.064 2.242 ( 3.012 -5.920 -5.682) 8.741 2.242 ( -3.012 -5.920 5.682) 8.741 2.349 ( -1.630 1.973 -2.603) 3.650 2.349 ( 1.630 1.973 2.603) 3.650 2.467 ( -2.043 3.034 -1.123) 3.827 2.467 ( 2.043 3.034 1.123) 3.827 2.582 ( -1.106 3.340 -0.507) 3.554 2.582 ( 1.106 3.340 0.507) 3.554 2.722 ( 3.008 0.684 -3.300) 4.518 2.722 ( -3.008 0.684 3.300) 4.518 2.839 ( -7.612 -1.540 -1.975) 8.014 2.839 ( 7.612 -1.540 1.975) 8.014 2.943 ( -2.495 1.014 -4.469) 5.218 2.943 ( 2.495 1.014 4.469) 5.218 3.017 ( -0.950 0.271 -1.606) 1.885 3.017 ( 0.950 0.271 1.606) 1.885 3.193 ( -2.977 4.328 -1.262) 5.403 3.193 ( 2.977 4.328 1.262) 5.403 3.312 ( -1.123 0.616 -1.865) 2.262 3.312 ( 1.123 0.616 1.865) 2.262 3.348 ( 0.711 2.237 -2.417) 3.369 3.348 ( -0.711 2.237 2.417) 3.369 3.641 ( 0.883 4.098 -2.151) 4.712 3.641 ( -0.883 4.098 2.151) 4.712 3.710 ( -2.044 -1.143 -2.428) 3.374 3.710 ( 2.044 -1.143 2.428) 3.374 3.785 ( -1.301 1.087 -0.899) 1.919 3.785 ( 1.301 1.087 0.899) 1.919 3.859 ( -1.661 4.192 -1.106) 4.642 3.859 ( 1.661 4.192 1.106) 4.642 4.027 ( 1.505 -0.451 -1.581) 2.229 4.027 ( -1.505 -0.451 1.581) 2.229 4.208 ( 2.363 1.870 -3.222) 4.411 4.208 ( -2.363 1.870 3.222) 4.411 4.360 ( -4.458 4.199 -2.900) 6.776 4.360 ( 4.458 4.199 2.900) 6.776 4.481 ( 0.765 -0.558 -2.872) 3.024 4.481 ( -0.765 -0.558 2.872) 3.024 4.581 ( -0.308 -0.671 -2.052) 2.181 4.581 ( 0.308 -0.671 2.052) 2.181 4.857 ( 1.002 2.303 -2.639) 3.643 4.857 ( -1.002 2.303 2.639) 3.643 4.972 ( 0.231 -2.320 -6.318) 6.735 4.972 ( -0.231 -2.320 6.318) 6.735 5.128 ( 1.629 -0.887 -2.860) 3.409 5.128 ( -1.629 -0.887 2.860) 3.409 5.265 ( 0.750 1.178 -2.548) 2.906 5.265 ( -0.750 1.178 2.548) 2.906 5.349 ( -0.206 1.499 -2.550) 2.965 5.349 ( 0.206 1.499 2.550) 2.965 5.541 ( -5.370 -1.301 -4.229) 6.958 5.541 ( 5.370 -1.301 4.229) 6.958 5.630 ( -3.306 -2.025 0.140) 3.879 5.630 ( 3.306 -2.025 -0.140) 3.879 5.690 ( -2.641 0.594 -0.542) 2.761 5.690 ( 2.641 0.594 0.542) 2.761 5.775 ( 1.482 -1.530 -3.692) 4.262 5.775 ( -1.482 -1.530 3.692) 4.262 5.904 ( -1.208 -2.919 -1.179) 3.372 5.904 ( 1.208 -2.919 1.179) 3.372 5.963 ( -0.408 -1.625 -1.401) 2.184 5.963 ( 0.408 -1.625 1.401) 2.184 6.163 ( 0.412 0.553 -3.446) 3.514 6.163 ( -0.412 0.553 3.446) 3.514 6.259 ( -0.260 1.193 -2.265) 2.573 6.259 ( 0.260 1.193 2.265) 2.573 6.366 ( -2.237 -3.863 -1.549) 4.725 6.366 ( 2.237 -3.863 1.549) 4.725 6.626 ( -1.292 -0.286 -2.243) 2.604 6.626 ( 1.292 -0.286 2.243) 2.604 6.760 ( -3.619 5.049 0.822) 6.266 6.760 ( 3.619 5.049 -0.822) 6.266 6.875 ( -4.124 3.350 0.599) 5.347 6.875 ( 4.124 3.350 -0.599) 5.347 6.998 ( 2.007 1.820 -2.593) 3.750 6.998 ( -2.007 1.820 2.593) 3.750 7.320 ( 0.689 -1.105 -1.039) 1.666 7.320 ( -0.689 -1.105 1.039) 1.666 7.392 ( -5.111 0.442 -0.134) 5.131 7.392 ( 5.111 0.442 0.134) 5.131 7.728 ( -1.397 -3.637 -1.686) 4.245 7.728 ( 1.397 -3.637 1.686) 4.245 7.991 ( -1.182 -1.982 -0.932) 2.489 7.991 ( 1.182 -1.982 0.932) 2.489 9.113 ( -0.404 -1.760 -0.315) 1.834 9.113 ( 0.404 -1.760 0.315) 1.834 9.201 ( -1.241 -2.459 -0.649) 2.830 9.201 ( 1.241 -2.459 0.649) 2.830 12.987 ( 0.057 -1.433 -0.445) 1.501 12.987 ( -0.057 -1.433 0.445) 1.501 13.237 ( 0.219 -0.283 -0.102) 0.372 13.237 ( -0.219 -0.283 0.102) 0.372 14.044 ( -0.594 -0.770 -0.271) 1.010 14.044 ( 0.594 -0.770 0.271) 1.010 14.279 ( 1.786 -0.158 -2.899) 3.408 14.279 ( -1.786 -0.158 2.899) 3.408 15.265 ( -0.187 1.164 -2.645) 2.896 15.265 ( 0.187 1.164 2.645) 2.896 15.476 ( -1.480 -1.220 -3.556) 4.041 15.476 ( 1.480 -1.220 3.556) 4.041 15.557 ( 2.560 -1.141 -1.375) 3.122 15.557 ( -2.560 -1.141 1.375) 3.122 15.661 ( -0.267 -0.135 -0.469) 0.556 15.661 ( 0.267 -0.135 0.469) 0.556 16.397 ( -0.819 -0.073 -4.987) 5.054 16.397 ( 0.819 -0.073 4.987) 5.054 16.707 ( -1.929 -2.775 0.473) 3.412 16.707 ( 1.929 -2.775 -0.473) 3.412 17.072 ( -0.916 -0.724 -1.173) 1.655 17.072 ( 0.916 -0.724 1.173) 1.655 17.118 ( -0.519 0.266 -0.810) 0.999 17.118 ( 0.519 0.266 0.810) 0.999 17.680 ( 0.109 1.015 -1.980) 2.228 17.680 ( -0.109 1.015 1.980) 2.228 17.789 ( 0.178 -1.401 -1.027) 1.747 17.789 ( -0.178 -1.401 1.027) 1.747 18.010 ( 1.163 5.043 -4.134) 6.624 18.010 ( -1.163 5.043 4.134) 6.624 18.243 ( 1.017 2.157 -1.999) 3.112 18.243 ( -1.017 2.157 1.999) 3.112 18.546 ( -0.265 1.712 -2.478) 3.024 18.546 ( 0.265 1.712 2.478) 3.024 18.788 ( -0.713 0.821 -3.903) 4.052 18.788 ( 0.713 0.821 3.903) 4.052 19.055 ( -0.088 1.114 -2.091) 2.371 19.055 ( 0.088 1.114 2.091) 2.371 19.532 ( 3.167 2.405 -6.410) 7.543 19.532 ( -3.167 2.405 6.410) 7.543 ======================= Grid point 107 (49/56) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 1.095 12.365 -9.800) 15.815 1.029 ( -1.095 12.365 9.800) 15.815 1.196 ( -0.992 8.974 -9.895) 13.395 1.196 ( 0.992 8.974 9.895) 13.395 1.470 ( -2.182 4.633 -3.783) 6.367 1.470 ( 2.182 4.633 3.783) 6.367 1.560 ( 1.319 0.384 -4.395) 4.605 1.560 ( -1.319 0.384 4.395) 4.605 1.741 ( -3.877 4.031 -4.768) 7.350 1.741 ( 3.877 4.031 4.768) 7.350 1.832 ( -1.209 4.026 -2.544) 4.913 1.832 ( 1.209 4.026 2.544) 4.913 1.928 ( -1.908 6.968 -1.483) 7.376 1.928 ( 1.908 6.968 1.483) 7.376 2.067 ( -2.360 7.290 -4.566) 8.920 2.067 ( 2.360 7.290 4.566) 8.920 2.278 ( 2.146 1.942 -4.043) 4.972 2.278 ( -2.146 1.942 4.043) 4.972 2.319 ( -1.067 1.513 -0.792) 2.014 2.319 ( 1.067 1.513 0.792) 2.014 2.561 ( -3.467 -2.545 -3.678) 5.659 2.561 ( 3.467 -2.545 3.678) 5.659 2.688 ( -0.073 1.784 -2.142) 2.789 2.688 ( 0.073 1.784 2.142) 2.789 2.751 ( -1.781 4.944 -4.007) 6.608 2.751 ( 1.781 4.944 4.007) 6.608 2.950 ( -4.122 -2.492 -3.543) 5.979 2.950 ( 4.122 -2.492 3.543) 5.979 2.977 ( 0.563 3.935 -7.028) 8.075 2.977 ( -0.563 3.935 7.028) 8.075 3.153 ( -0.138 -1.248 -1.802) 2.196 3.153 ( 0.138 -1.248 1.802) 2.196 3.290 ( -4.731 -3.095 -2.150) 6.049 3.290 ( 4.731 -3.095 2.150) 6.049 3.382 ( -0.497 -1.195 -2.234) 2.582 3.382 ( 0.497 -1.195 2.234) 2.582 3.536 ( -0.821 6.695 -3.340) 7.527 3.536 ( 0.821 6.695 3.340) 7.527 3.568 ( -1.920 0.607 -2.140) 2.939 3.568 ( 1.920 0.607 2.140) 2.939 3.725 ( -1.671 3.243 -2.444) 4.391 3.725 ( 1.671 3.243 2.444) 4.391 3.808 ( -2.925 -2.654 -3.363) 5.187 3.808 ( 2.925 -2.654 3.363) 5.187 3.949 ( -0.363 -0.921 -1.871) 2.116 3.949 ( 0.363 -0.921 1.871) 2.116 4.041 ( -2.280 3.733 -1.320) 4.569 4.041 ( 2.280 3.733 1.320) 4.569 4.093 ( -0.896 -2.349 -1.108) 2.747 4.093 ( 0.896 -2.349 1.108) 2.747 4.257 ( -0.056 -1.649 -2.841) 3.285 4.257 ( 0.056 -1.649 2.841) 3.285 4.580 ( -1.140 -1.442 -3.698) 4.130 4.580 ( 1.140 -1.442 3.698) 4.130 4.671 ( -1.425 -1.432 -2.549) 3.252 4.671 ( 1.425 -1.432 2.549) 3.252 4.918 ( 1.769 3.472 -3.880) 5.499 4.918 ( -1.769 3.472 3.880) 5.499 5.034 ( 0.059 0.825 -2.441) 2.578 5.034 ( -0.059 0.825 2.441) 2.578 5.112 ( -2.115 -1.968 -1.319) 3.176 5.112 ( 2.115 -1.968 1.319) 3.176 5.244 ( -0.423 1.625 -2.018) 2.625 5.244 ( 0.423 1.625 2.018) 2.625 5.307 ( 0.075 -0.400 -2.003) 2.044 5.307 ( -0.075 -0.400 2.003) 2.044 5.520 ( -0.789 -1.603 -2.603) 3.157 5.520 ( 0.789 -1.603 2.603) 3.157 5.595 ( -1.413 -0.840 -0.729) 1.799 5.595 ( 1.413 -0.840 0.729) 1.799 5.679 ( -1.557 -1.589 -1.117) 2.489 5.679 ( 1.557 -1.589 1.117) 2.489 5.729 ( 1.010 -4.740 -0.858) 4.922 5.729 ( -1.010 -4.740 0.858) 4.922 5.859 ( -1.734 -0.914 -2.533) 3.203 5.859 ( 1.734 -0.914 2.533) 3.203 5.902 ( -0.838 -1.760 -1.450) 2.429 5.902 ( 0.838 -1.760 1.450) 2.429 6.133 ( 0.691 -0.010 -1.849) 1.974 6.133 ( -0.691 -0.010 1.849) 1.974 6.218 ( -0.065 3.729 -1.279) 3.943 6.218 ( 0.065 3.729 1.279) 3.943 6.419 ( -1.177 4.787 -2.173) 5.387 6.419 ( 1.177 4.787 2.173) 5.387 6.573 ( -4.946 -1.436 -2.184) 5.594 6.573 ( 4.946 -1.436 2.184) 5.594 6.719 ( 0.143 -1.337 -2.508) 2.845 6.719 ( -0.143 -1.337 2.508) 2.845 6.866 ( 1.364 -2.093 -2.226) 3.346 6.866 ( -1.364 -2.093 2.226) 3.346 7.051 ( -0.629 1.894 -0.402) 2.036 7.051 ( 0.629 1.894 0.402) 2.036 7.205 ( 3.040 -5.350 -2.814) 6.766 7.205 ( -3.040 -5.350 2.814) 6.766 7.349 ( -3.218 -2.983 -0.209) 4.393 7.349 ( 3.218 -2.983 0.209) 4.393 7.716 ( -2.996 1.944 -0.734) 3.646 7.716 ( 2.996 1.944 0.734) 3.646 7.782 ( -0.111 0.216 -1.615) 1.633 7.782 ( 0.111 0.216 1.615) 1.633 9.168 ( -1.282 -0.509 -0.716) 1.554 9.168 ( 1.282 -0.509 0.716) 1.554 9.279 ( -2.224 0.833 -0.616) 2.454 9.279 ( 2.224 0.833 0.616) 2.454 13.016 ( -0.523 -1.015 -0.429) 1.220 13.016 ( 0.523 -1.015 0.429) 1.220 13.215 ( -0.239 -0.706 -0.481) 0.887 13.215 ( 0.239 -0.706 0.481) 0.887 14.073 ( -2.931 -0.465 0.477) 3.006 14.073 ( 2.931 -0.465 -0.477) 3.006 14.115 ( -2.868 -1.105 -0.224) 3.082 14.115 ( 2.868 -1.105 0.224) 3.082 15.296 ( -1.687 -0.494 -0.262) 1.778 15.296 ( 1.687 -0.494 0.262) 1.778 15.390 ( -1.831 0.013 -0.683) 1.954 15.390 ( 1.831 0.013 0.683) 1.954 15.562 ( 0.172 -2.454 -2.140) 3.261 15.562 ( -0.172 -2.454 2.140) 3.261 15.696 ( 0.490 -0.475 -1.065) 1.265 15.696 ( -0.490 -0.475 1.065) 1.265 16.381 ( 2.129 2.802 -2.810) 4.503 16.381 ( -2.129 2.802 2.810) 4.503 16.702 ( -0.857 -4.276 -4.111) 5.993 16.702 ( 0.857 -4.276 4.111) 5.993 17.062 ( -0.973 -1.125 -0.976) 1.779 17.062 ( 0.973 -1.125 0.976) 1.779 17.144 ( -0.876 -0.304 -2.304) 2.483 17.144 ( 0.876 -0.304 2.304) 2.483 17.661 ( 0.662 0.221 -1.238) 1.421 17.661 ( -0.662 0.221 1.238) 1.421 17.751 ( 0.179 0.546 -0.312) 0.654 17.751 ( -0.179 0.546 0.312) 0.654 18.129 ( 1.308 4.715 -3.823) 6.209 18.129 ( -1.308 4.715 3.823) 6.209 18.357 ( -0.067 1.199 -2.848) 3.091 18.357 ( 0.067 1.199 2.848) 3.091 18.646 ( -0.313 2.457 -1.090) 2.706 18.646 ( 0.313 2.457 1.090) 2.706 18.774 ( 1.601 0.591 -1.573) 2.321 18.774 ( -1.601 0.591 1.573) 2.321 19.074 ( -0.463 -1.092 -2.815) 3.055 19.074 ( 0.463 -1.092 2.815) 3.055 19.718 ( 0.731 2.659 -2.733) 3.882 19.718 ( -0.731 2.659 2.733) 3.882 ======================= Grid point 109 (50/56) ======================= q-point: ( 0.17 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -4.765 8.791 -5.373) 11.352 1.018 ( -3.789 7.698 8.640) 12.177 1.172 ( 3.091 5.184 -9.951) 11.639 1.318 ( -1.153 8.990 5.958) 10.846 1.383 ( -3.980 1.698 -2.479) 4.987 1.486 ( 0.681 2.435 -2.934) 3.873 1.537 ( 0.374 -0.030 -1.161) 1.220 1.584 ( 0.580 3.630 0.374) 3.695 1.660 ( 0.259 4.847 -0.534) 4.883 1.749 ( -2.691 1.709 1.168) 3.395 1.825 ( -1.248 2.127 -0.440) 2.505 1.868 ( -2.212 4.271 1.903) 5.173 1.920 ( -3.032 6.997 3.057) 8.216 1.957 ( 4.716 6.275 -0.288) 7.855 2.014 ( 1.407 8.537 -4.661) 9.827 2.155 ( -0.741 2.301 0.672) 2.509 2.229 ( 0.759 0.919 1.621) 2.013 2.237 ( -2.040 0.253 -2.148) 2.973 2.351 ( -1.453 0.249 1.658) 2.219 2.364 ( 2.802 0.552 -1.304) 3.139 2.453 ( -2.575 -4.091 -3.374) 5.895 2.583 ( -2.555 0.070 2.291) 3.432 2.633 ( -3.300 2.197 -3.196) 5.093 2.690 ( -1.028 -0.020 1.019) 1.448 2.734 ( 1.664 5.819 -0.420) 6.067 2.785 ( -1.353 0.136 1.309) 1.888 2.856 ( -2.504 2.250 0.803) 3.461 2.931 ( -1.234 0.463 -4.920) 5.093 2.975 ( -1.066 5.428 1.943) 5.863 3.042 ( 0.420 -3.871 0.675) 3.951 3.137 ( -5.716 -0.852 0.933) 5.854 3.164 ( 1.113 -2.898 -1.120) 3.300 3.190 ( 1.939 0.108 1.468) 2.435 3.268 ( -4.940 2.310 4.119) 6.834 3.382 ( -3.121 1.356 1.698) 3.803 3.407 ( -1.294 -0.595 1.342) 1.957 3.487 ( -1.646 6.811 -1.060) 7.087 3.537 ( -2.288 6.920 0.881) 7.342 3.562 ( 3.573 -0.454 -2.362) 4.308 3.638 ( 2.753 1.196 1.860) 3.531 3.696 ( 0.924 1.691 -1.014) 2.177 3.714 ( -0.300 2.346 -3.384) 4.128 3.787 ( 1.061 1.321 2.836) 3.304 3.868 ( -0.228 -1.028 -0.559) 1.192 3.946 ( -2.015 1.647 1.199) 2.865 3.990 ( 2.953 -0.600 0.260) 3.025 4.011 ( 2.575 0.833 -1.365) 3.031 4.059 ( -0.778 1.302 0.470) 1.588 4.080 ( -1.012 -2.364 0.883) 2.719 4.178 ( 5.455 -0.211 1.284) 5.608 4.227 ( -0.079 0.170 -0.567) 0.598 4.295 ( 1.760 -2.965 2.063) 4.018 4.521 ( -1.531 0.194 -3.715) 4.023 4.600 ( -1.394 -2.539 1.136) 3.111 4.637 ( -0.377 -0.470 -0.339) 0.691 4.742 ( 3.297 -1.763 1.556) 4.050 4.887 ( -2.391 2.928 1.515) 4.072 4.920 ( -1.095 3.491 -1.115) 3.825 4.998 ( -2.098 -1.362 -0.987) 2.689 5.026 ( -1.920 0.159 0.074) 1.928 5.066 ( -1.402 1.469 -0.629) 2.126 5.148 ( 0.716 -1.366 1.814) 2.381 5.230 ( -0.228 0.687 -0.187) 0.748 5.269 ( 0.501 -0.585 -1.963) 2.109 5.299 ( 0.297 1.092 2.254) 2.522 5.342 ( 3.023 0.940 -0.815) 3.269 5.458 ( -1.093 -0.351 -0.883) 1.449 5.528 ( -1.994 1.443 -0.228) 2.471 5.586 ( 1.709 -2.984 -0.359) 3.458 5.627 ( 0.764 -1.934 -0.344) 2.108 5.667 ( -0.163 -1.144 1.542) 1.927 5.693 ( -0.621 -2.995 -2.570) 3.995 5.717 ( 0.214 -2.168 2.278) 3.151 5.774 ( 3.514 -5.442 -1.834) 6.733 5.825 ( -0.705 -1.384 -0.931) 1.811 5.865 ( -1.461 -1.837 1.142) 2.610 5.917 ( 0.716 0.691 2.033) 2.263 5.959 ( 3.296 -1.612 1.379) 3.919 6.077 ( -3.046 0.458 0.147) 3.084 6.120 ( -1.638 -0.979 -2.377) 3.049 6.232 ( 2.019 3.323 1.902) 4.328 6.259 ( 1.942 2.206 -1.043) 3.118 6.389 ( -2.429 0.321 -1.217) 2.736 6.433 ( -1.080 2.590 -2.095) 3.501 6.507 ( 2.282 0.483 1.148) 2.600 6.644 ( 2.294 1.527 1.256) 3.028 6.688 ( -1.097 -1.712 -1.266) 2.396 6.766 ( 3.504 -1.756 -0.943) 4.032 6.905 ( 2.118 0.374 1.518) 2.632 6.963 ( 7.103 -1.299 -0.634) 7.249 7.032 ( -0.744 1.531 0.441) 1.759 7.087 ( 2.486 0.299 -0.950) 2.678 7.144 ( -2.613 -1.838 2.008) 3.773 7.233 ( 0.779 -5.933 -2.071) 6.333 7.316 ( 0.991 2.231 1.034) 2.651 7.479 ( 6.068 -4.985 -0.232) 7.856 7.640 ( -0.537 1.375 -0.004) 1.476 7.695 ( -3.656 1.603 0.114) 3.993 7.771 ( -1.343 -2.811 0.424) 3.144 7.864 ( 5.251 0.430 -0.210) 5.273 9.118 ( -3.004 -0.830 -0.292) 3.130 9.170 ( -1.565 -1.158 1.021) 2.198 9.206 ( -4.252 0.261 -0.888) 4.351 9.289 ( -1.744 -0.424 0.295) 1.819 12.982 ( -1.942 -1.204 0.088) 2.286 13.012 ( -1.428 -1.135 -0.025) 1.824 13.215 ( 0.449 -0.498 -0.416) 0.789 13.225 ( 0.350 -0.797 0.249) 0.905 14.031 ( -1.286 -0.366 0.398) 1.395 14.068 ( -1.683 -1.228 -0.245) 2.098 14.152 ( 4.763 -0.248 -0.949) 4.863 14.185 ( 3.591 -1.054 1.216) 3.936 15.274 ( -0.779 0.552 1.021) 1.398 15.339 ( 2.045 -1.492 1.298) 2.845 15.353 ( -1.298 1.126 -1.219) 2.107 15.435 ( 2.354 -0.656 0.176) 2.450 15.538 ( -1.089 -2.244 -1.905) 3.139 15.570 ( -0.213 -2.184 0.828) 2.346 15.682 ( -1.453 -0.403 0.996) 1.807 15.688 ( -0.581 -0.557 -0.813) 1.144 16.358 ( -1.264 2.403 2.493) 3.686 16.420 ( 2.861 2.369 -2.982) 4.764 16.648 ( -2.119 -3.974 -2.739) 5.271 16.722 ( -1.577 -4.439 4.144) 6.274 17.031 ( -1.078 -0.842 -0.113) 1.372 17.089 ( 0.652 -1.478 -0.186) 1.626 17.111 ( -0.756 0.264 -1.826) 1.994 17.163 ( -0.497 -0.835 1.882) 2.118 17.663 ( 0.576 0.672 0.806) 1.197 17.685 ( 1.644 0.287 -0.772) 1.839 17.752 ( 0.493 0.764 -0.193) 0.929 17.757 ( 0.529 0.286 -0.463) 0.759 18.119 ( -0.972 4.820 1.692) 5.200 18.132 ( 0.216 4.585 -1.205) 4.746 18.322 ( -1.463 1.768 -2.193) 3.174 18.362 ( -1.477 0.862 2.234) 2.814 18.605 ( -1.979 2.657 0.201) 3.319 18.651 ( -0.788 1.655 -1.508) 2.373 18.768 ( 0.034 1.619 1.618) 2.289 18.801 ( 1.936 0.352 -1.820) 2.680 19.052 ( -0.180 -0.169 -1.296) 1.319 19.098 ( 0.156 -0.938 2.285) 2.475 19.676 ( -2.747 3.196 -2.075) 4.697 19.693 ( -3.227 2.737 1.386) 4.453 ======================= Grid point 110 (51/56) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 6.593 1.647 -2.176) 7.136 1.065 ( 2.346 1.521 5.018) 5.744 1.131 ( -0.587 -0.012 -7.597) 7.620 1.279 ( -1.793 4.855 5.501) 7.552 1.319 ( -3.294 -3.210 -3.699) 5.903 1.447 ( -1.968 0.936 -6.723) 7.067 1.512 ( -0.893 2.356 -1.975) 3.202 1.600 ( -3.851 5.225 7.195) 9.690 1.705 ( 4.099 3.962 -0.735) 5.748 1.722 ( -1.129 -0.864 -2.620) 2.981 1.768 ( -0.329 -1.595 0.004) 1.628 1.813 ( -4.026 -0.301 6.020) 7.249 1.872 ( -2.344 -0.005 -0.253) 2.357 2.014 ( 0.211 6.162 -0.960) 6.240 2.063 ( 1.463 5.829 -1.836) 6.284 2.072 ( -2.956 0.598 -2.696) 4.045 2.159 ( -4.587 -5.224 3.283) 7.688 2.204 ( -3.922 1.045 0.569) 4.099 2.361 ( -0.489 -0.154 -3.669) 3.705 2.413 ( -0.803 -1.510 -2.820) 3.298 2.417 ( 6.129 -2.106 -1.270) 6.604 2.540 ( -2.182 1.849 1.277) 3.132 2.583 ( -1.450 -0.320 2.453) 2.868 2.664 ( -2.478 0.585 0.164) 2.551 2.743 ( -0.633 -0.003 -0.300) 0.701 2.768 ( 2.518 5.848 -2.586) 6.872 2.808 ( -3.218 0.414 1.820) 3.721 2.904 ( -1.248 0.176 2.735) 3.011 2.989 ( 1.575 4.427 -1.316) 4.880 2.994 ( -2.493 -1.856 -1.685) 3.536 3.041 ( -3.476 1.064 -2.428) 4.372 3.180 ( -1.242 3.589 -3.618) 5.245 3.231 ( -1.185 3.679 7.920) 8.813 3.256 ( 2.272 0.886 3.297) 4.101 3.327 ( -1.943 4.715 2.422) 5.645 3.349 ( -3.257 2.032 1.188) 4.018 3.445 ( -2.046 5.282 -1.221) 5.794 3.504 ( -2.020 4.492 -1.623) 5.186 3.627 ( 3.982 -0.052 -1.558) 4.277 3.682 ( 0.772 3.003 2.739) 4.137 3.718 ( 1.636 3.219 -0.983) 3.742 3.742 ( 2.855 1.683 -1.404) 3.599 3.799 ( -0.472 1.168 -1.618) 2.051 3.855 ( -0.937 0.789 0.798) 1.462 3.918 ( -0.540 3.496 1.772) 3.957 3.977 ( -1.252 2.418 -0.538) 2.776 4.026 ( -2.157 -0.150 0.801) 2.305 4.050 ( -1.676 0.251 0.012) 1.694 4.133 ( 5.304 -3.671 0.461) 6.467 4.232 ( 0.639 -0.134 -0.845) 1.068 4.307 ( 6.293 1.636 1.733) 6.729 4.365 ( 3.741 -1.054 3.398) 5.162 4.482 ( -0.405 -0.310 -3.668) 3.704 4.561 ( -2.025 -0.919 -0.169) 2.230 4.626 ( -1.904 3.174 0.023) 3.701 4.744 ( -6.235 4.810 0.365) 7.883 4.836 ( 0.488 -0.639 -1.700) 1.880 4.907 ( 0.280 -0.023 3.302) 3.314 4.966 ( -3.794 0.794 -0.254) 3.884 4.981 ( -0.598 -0.781 -1.441) 1.745 5.059 ( 2.350 -0.410 -1.565) 2.853 5.148 ( -1.821 0.120 1.398) 2.299 5.239 ( 0.704 -1.743 1.165) 2.211 5.256 ( 0.235 -1.684 -1.686) 2.395 5.344 ( 2.441 3.164 2.277) 4.600 5.401 ( 3.002 1.621 -1.168) 3.607 5.470 ( 0.981 2.267 -0.587) 2.539 5.513 ( 1.692 -0.621 1.186) 2.158 5.603 ( -0.306 -2.727 -1.683) 3.219 5.623 ( -2.856 -2.971 -1.370) 4.343 5.647 ( 0.704 -0.926 1.713) 2.070 5.694 ( 1.048 -2.334 -0.410) 2.591 5.737 ( 0.212 -1.605 -0.372) 1.661 5.784 ( -1.345 -2.287 -1.851) 3.234 5.818 ( 0.484 -1.429 0.682) 1.655 5.860 ( 0.122 -2.512 0.331) 2.536 5.923 ( -0.541 0.490 1.992) 2.122 5.996 ( -2.572 -0.240 0.247) 2.595 6.061 ( 2.237 -2.936 1.716) 4.070 6.093 ( 1.265 -3.046 -2.082) 3.900 6.270 ( 1.112 1.663 -2.697) 3.358 6.295 ( 1.191 2.118 1.806) 3.028 6.326 ( -1.567 0.274 1.248) 2.022 6.413 ( -0.719 1.805 -2.342) 3.043 6.561 ( 1.662 -1.451 1.616) 2.735 6.648 ( -0.921 -1.867 -1.640) 2.651 6.740 ( 4.692 2.022 0.861) 5.181 6.818 ( 2.128 -0.219 -1.120) 2.415 6.929 ( 0.419 3.254 0.298) 3.294 7.007 ( -2.355 1.250 0.972) 2.838 7.037 ( 0.227 -0.210 0.408) 0.511 7.099 ( -0.241 4.559 -0.668) 4.614 7.197 ( 4.956 -1.830 -0.269) 5.290 7.245 ( 2.614 -2.828 -0.462) 3.879 7.367 ( 3.460 5.032 0.143) 6.108 7.543 ( 3.279 -5.627 0.162) 6.515 7.583 ( -5.872 5.760 0.004) 8.225 7.706 ( -3.138 -4.737 -0.294) 5.690 7.791 ( 8.325 -5.252 0.172) 9.845 7.942 ( 2.094 -1.948 0.214) 2.868 9.068 ( -1.468 -1.911 -0.036) 2.410 9.119 ( -3.599 -0.957 -0.712) 3.791 9.135 ( -2.042 -2.611 0.908) 3.437 9.221 ( -4.813 -2.191 -0.016) 5.288 12.954 ( -0.837 -1.594 0.125) 1.804 12.976 ( -1.749 -1.369 -0.059) 2.222 13.223 ( 0.492 -0.380 -0.255) 0.672 13.230 ( 0.089 -0.653 0.039) 0.660 14.021 ( -0.147 -0.577 0.329) 0.681 14.042 ( -1.003 -1.035 -0.174) 1.451 14.233 ( 3.968 -0.129 -1.555) 4.263 14.254 ( 1.939 -0.692 2.123) 2.957 15.277 ( 0.114 1.407 1.975) 2.427 15.322 ( -0.842 1.438 -1.713) 2.390 15.391 ( 2.100 -1.408 1.902) 3.164 15.481 ( 1.687 -2.175 -0.011) 2.752 15.499 ( -0.818 -0.569 -2.594) 2.779 15.562 ( -1.137 -1.605 0.674) 2.080 15.659 ( -1.155 -0.519 0.515) 1.367 15.668 ( -0.982 -0.638 -0.379) 1.231 16.365 ( 0.193 1.409 3.187) 3.490 16.437 ( 0.757 1.157 -4.499) 4.706 16.611 ( 0.159 -3.277 -0.955) 3.417 16.694 ( -3.370 -3.954 2.955) 5.977 17.026 ( 0.417 -0.864 0.699) 1.187 17.077 ( -0.620 -1.565 -1.888) 2.529 17.105 ( 0.291 0.191 -0.220) 0.412 17.147 ( -1.844 -0.748 1.125) 2.286 17.686 ( 1.058 1.136 0.853) 1.771 17.706 ( 0.888 1.067 -0.886) 1.647 17.767 ( 1.063 0.296 -0.756) 1.338 17.769 ( 0.751 0.167 0.256) 0.811 18.114 ( -0.929 4.733 2.667) 5.511 18.124 ( 0.125 4.510 -2.119) 4.985 18.286 ( -0.431 1.991 -2.099) 2.925 18.329 ( -2.855 1.249 1.882) 3.640 18.583 ( -0.693 2.387 1.039) 2.694 18.616 ( -1.269 1.634 -1.828) 2.761 18.787 ( 0.637 1.762 1.677) 2.515 18.817 ( 0.902 0.404 -2.371) 2.569 19.057 ( 0.997 1.103 0.178) 1.497 19.105 ( -0.507 0.405 0.649) 0.917 19.610 ( -1.478 3.349 -3.749) 5.240 19.632 ( -3.930 2.711 2.918) 5.595 ======================= Grid point 111 (52/56) ======================= q-point: ( 0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -6.976 -1.362 -2.638) 7.582 1.045 ( 6.976 -1.362 2.638) 7.582 1.146 ( -4.071 -1.813 -1.518) 4.708 1.146 ( 4.071 -1.813 1.518) 4.708 1.381 ( -5.206 -0.409 -5.922) 7.896 1.381 ( 5.206 -0.409 5.922) 7.896 1.497 ( 5.808 4.920 -9.001) 11.788 1.497 ( -5.808 4.920 9.001) 11.788 1.762 ( 1.683 -3.966 -4.226) 6.034 1.762 ( -1.683 -3.966 4.226) 6.034 1.788 ( 0.685 -0.175 -1.581) 1.732 1.788 ( -0.685 -0.175 1.581) 1.732 1.889 ( -7.911 -0.913 -2.659) 8.396 1.889 ( 7.911 -0.913 2.659) 8.396 2.051 ( 1.310 2.577 -2.638) 3.914 2.051 ( -1.310 2.577 2.638) 3.914 2.146 ( -0.069 -1.390 -4.044) 4.276 2.146 ( 0.069 -1.390 4.044) 4.276 2.370 ( -0.382 1.128 -2.717) 2.966 2.370 ( 0.382 1.128 2.717) 2.966 2.504 ( 2.038 -1.931 -3.341) 4.364 2.504 ( -2.038 -1.931 3.341) 4.364 2.604 ( -0.306 0.653 -3.689) 3.759 2.604 ( 0.306 0.653 3.689) 3.759 2.758 ( -0.151 0.692 -4.017) 4.079 2.758 ( 0.151 0.692 4.017) 4.079 2.850 ( -4.420 1.989 -2.263) 5.349 2.850 ( 4.420 1.989 2.263) 5.349 2.961 ( -1.635 1.188 -3.295) 3.865 2.961 ( 1.635 1.188 3.295) 3.865 3.085 ( -5.249 6.710 -0.958) 8.573 3.085 ( 5.249 6.710 0.958) 8.573 3.278 ( -1.032 3.220 -2.346) 4.115 3.278 ( 1.032 3.220 2.346) 4.115 3.324 ( -0.683 1.029 -1.060) 1.627 3.324 ( 0.683 1.029 1.060) 1.627 3.440 ( -1.668 5.895 -3.124) 6.877 3.440 ( 1.668 5.895 3.124) 6.877 3.688 ( 1.939 -0.763 -4.006) 4.516 3.688 ( -1.939 -0.763 4.006) 4.516 3.739 ( -0.627 4.025 -2.270) 4.663 3.739 ( 0.627 4.025 2.270) 4.663 3.819 ( 1.975 2.379 -2.516) 3.987 3.819 ( -1.975 2.379 2.516) 3.987 3.949 ( -1.081 2.810 -1.720) 3.468 3.949 ( 1.081 2.810 1.720) 3.468 4.014 ( -0.173 0.165 -2.064) 2.078 4.014 ( 0.173 0.165 2.064) 2.078 4.211 ( -1.950 -1.862 -0.303) 2.713 4.211 ( 1.950 -1.862 0.303) 2.713 4.425 ( -3.254 -2.746 -2.431) 4.903 4.425 ( 3.254 -2.746 2.431) 4.903 4.489 ( -5.450 5.140 -3.024) 8.079 4.489 ( 5.450 5.140 3.024) 8.079 4.619 ( -1.001 4.603 -2.127) 5.168 4.619 ( 1.001 4.603 2.127) 5.168 4.885 ( 1.177 -1.061 -3.456) 3.802 4.885 ( -1.177 -1.061 3.456) 3.802 4.946 ( -0.463 0.645 -2.328) 2.459 4.946 ( 0.463 0.645 2.328) 2.459 5.110 ( 2.439 -0.551 -1.543) 2.938 5.110 ( -2.439 -0.551 1.543) 2.938 5.253 ( 0.425 -2.117 -2.166) 3.058 5.253 ( -0.425 -2.117 2.166) 3.058 5.406 ( -1.026 3.262 -2.440) 4.201 5.406 ( 1.026 3.262 2.440) 4.201 5.518 ( -2.759 -0.687 -3.525) 4.529 5.518 ( 2.759 -0.687 3.525) 4.529 5.580 ( -2.719 -2.296 -0.510) 3.595 5.580 ( 2.719 -2.296 0.510) 3.595 5.686 ( -0.887 -1.349 -2.261) 2.779 5.686 ( 0.887 -1.349 2.261) 2.779 5.743 ( 1.725 -1.464 -1.294) 2.607 5.743 ( -1.725 -1.464 1.294) 2.607 5.847 ( -0.344 -1.997 -1.697) 2.643 5.847 ( 0.344 -1.997 1.697) 2.643 5.939 ( -1.241 -0.267 -1.530) 1.988 5.939 ( 1.241 -0.267 1.530) 1.988 6.105 ( 0.080 -4.499 -2.316) 5.061 6.105 ( -0.080 -4.499 2.316) 5.061 6.277 ( 1.306 0.379 -1.767) 2.229 6.277 ( -1.306 0.379 1.767) 2.229 6.369 ( -1.265 3.013 -3.519) 4.802 6.369 ( 1.265 3.013 3.519) 4.802 6.607 ( -1.947 -1.562 -1.951) 3.168 6.607 ( 1.947 -1.562 1.951) 3.168 6.815 ( -0.492 0.311 -1.629) 1.730 6.815 ( 0.492 0.311 1.629) 1.730 6.959 ( -0.987 3.592 -0.350) 3.742 6.959 ( 0.987 3.592 0.350) 3.742 7.056 ( -2.018 3.636 -0.811) 4.236 7.056 ( 2.018 3.636 0.811) 4.236 7.273 ( -1.613 -2.759 -0.182) 3.201 7.273 ( 1.613 -2.759 0.182) 3.201 7.461 ( -6.167 6.169 0.125) 8.724 7.461 ( 6.167 6.169 -0.125) 8.724 7.623 ( -2.746 -5.803 -1.460) 6.584 7.623 ( 2.746 -5.803 1.460) 6.584 7.927 ( -3.767 -4.117 -0.137) 5.582 7.927 ( 3.767 -4.117 0.137) 5.582 9.068 ( -1.143 -2.213 -0.563) 2.553 9.068 ( 1.143 -2.213 0.563) 2.553 9.138 ( -2.302 -3.018 -0.721) 3.864 9.138 ( 2.302 -3.018 0.721) 3.864 12.952 ( -0.499 -1.633 -0.158) 1.714 12.952 ( 0.499 -1.633 0.158) 1.714 13.229 ( 0.021 -0.447 -0.057) 0.451 13.229 ( -0.021 -0.447 0.057) 0.451 14.026 ( -0.379 -0.829 -0.302) 0.960 14.026 ( 0.379 -0.829 0.302) 0.960 14.275 ( 1.263 -0.263 -2.087) 2.453 14.275 ( -1.263 -0.263 2.087) 2.453 15.297 ( -0.083 1.746 -2.813) 3.312 15.297 ( 0.083 1.746 2.813) 3.312 15.444 ( -1.980 -1.793 -2.287) 3.516 15.444 ( 1.980 -1.793 2.287) 3.516 15.532 ( -1.692 -0.876 0.369) 1.940 15.532 ( 1.692 -0.876 -0.369) 1.940 15.652 ( -0.165 -0.694 -0.276) 0.765 15.652 ( 0.165 -0.694 0.276) 0.765 16.401 ( -0.936 0.588 -4.259) 4.400 16.401 ( 0.936 0.588 4.259) 4.400 16.641 ( 1.915 -3.101 -1.350) 3.887 16.641 ( -1.915 -3.101 1.350) 3.887 17.050 ( -1.034 -1.339 -1.421) 2.210 17.050 ( 1.034 -1.339 1.421) 2.210 17.118 ( 0.483 -0.206 -0.643) 0.831 17.118 ( -0.483 -0.206 0.643) 0.831 17.706 ( 0.280 1.410 -1.856) 2.348 17.706 ( -0.280 1.410 1.856) 2.348 17.778 ( 0.216 0.035 -0.594) 0.633 17.778 ( -0.216 0.035 0.594) 0.633 18.115 ( 1.253 4.552 -4.495) 6.518 18.115 ( -1.253 4.552 4.495) 6.518 18.290 ( 1.564 1.765 -2.542) 3.467 18.290 ( -1.564 1.765 2.542) 3.467 18.589 ( -0.420 2.041 -1.515) 2.576 18.589 ( 0.420 2.041 1.515) 2.576 18.808 ( -0.194 0.968 -2.313) 2.515 18.808 ( 0.194 0.968 2.313) 2.515 19.085 ( -1.017 1.536 -0.754) 1.990 19.085 ( 1.017 1.536 0.754) 1.990 19.591 ( 1.916 2.763 -3.576) 4.909 19.591 ( -1.916 2.763 3.576) 4.909 ======================= Grid point 115 (53/56) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 0.201 4.532 -1.468) 4.768 1.232 ( -0.201 4.532 1.468) 4.768 1.338 ( -8.336 5.603 -0.204) 10.046 1.338 ( 8.336 5.603 0.204) 10.046 1.527 ( -1.322 -0.031 -1.625) 2.095 1.527 ( 1.322 -0.031 1.625) 2.095 1.616 ( 2.475 4.186 -6.889) 8.432 1.616 ( -2.475 4.186 6.889) 8.432 1.727 ( 0.118 -3.543 -4.034) 5.370 1.727 ( -0.118 -3.543 4.034) 5.370 1.892 ( -3.461 1.894 -1.518) 4.227 1.892 ( 3.461 1.894 1.518) 4.227 2.062 ( -0.836 3.575 -0.956) 3.794 2.062 ( 0.836 3.575 0.956) 3.794 2.155 ( -0.813 1.062 -3.748) 3.980 2.155 ( 0.813 1.062 3.748) 3.980 2.338 ( 0.807 -0.590 -1.843) 2.097 2.338 ( -0.807 -0.590 1.843) 2.097 2.361 ( 1.916 4.423 -2.908) 5.630 2.361 ( -1.916 4.423 2.908) 5.630 2.524 ( -2.791 0.692 -1.904) 3.448 2.524 ( 2.791 0.692 1.904) 3.448 2.676 ( -0.090 -2.258 -2.675) 3.502 2.676 ( 0.090 -2.258 2.675) 3.502 2.847 ( -1.677 2.875 -0.254) 3.338 2.847 ( 1.677 2.875 0.254) 3.338 2.922 ( -1.574 -0.400 -2.291) 2.808 2.922 ( 1.574 -0.400 2.291) 2.808 3.036 ( -1.442 -0.496 -3.728) 4.028 3.036 ( 1.442 -0.496 3.728) 4.028 3.108 ( -1.103 0.609 -0.241) 1.283 3.108 ( 1.103 0.609 0.241) 1.283 3.246 ( 2.268 -1.696 -2.075) 3.511 3.246 ( -2.268 -1.696 2.075) 3.511 3.351 ( -1.556 -1.067 -1.409) 2.355 3.351 ( 1.556 -1.067 1.409) 2.355 3.580 ( -0.716 0.850 -2.399) 2.644 3.580 ( 0.716 0.850 2.399) 2.644 3.638 ( -0.783 0.757 -0.301) 1.130 3.638 ( 0.783 0.757 0.301) 1.130 3.745 ( -1.204 1.099 -0.901) 1.863 3.745 ( 1.204 1.099 0.901) 1.863 3.850 ( 1.309 3.539 -3.131) 4.903 3.850 ( -1.309 3.539 3.131) 4.903 3.915 ( 0.780 -1.674 -1.701) 2.511 3.915 ( -0.780 -1.674 1.701) 2.511 4.047 ( -0.970 -1.273 -1.119) 1.953 4.047 ( 0.970 -1.273 1.119) 1.953 4.154 ( -0.778 5.144 -1.617) 5.448 4.154 ( 0.778 5.144 1.617) 5.448 4.234 ( 1.697 -1.404 -2.772) 3.541 4.234 ( -1.697 -1.404 2.772) 3.541 4.549 ( -0.741 -0.401 -2.881) 3.001 4.549 ( 0.741 -0.401 2.881) 3.001 4.623 ( -0.534 -2.829 -2.640) 3.907 4.623 ( 0.534 -2.829 2.640) 3.907 4.970 ( 1.153 0.733 -1.586) 2.094 4.970 ( -1.153 0.733 1.586) 2.094 5.033 ( 0.730 0.115 -1.067) 1.298 5.033 ( -0.730 0.115 1.067) 1.298 5.101 ( -0.246 0.387 -0.423) 0.624 5.101 ( 0.246 0.387 0.423) 0.624 5.271 ( -0.127 0.605 -1.369) 1.502 5.271 ( 0.127 0.605 1.369) 1.502 5.303 ( 0.201 0.112 -2.058) 2.071 5.303 ( -0.201 0.112 2.058) 2.071 5.497 ( -0.585 -0.407 -1.216) 1.410 5.497 ( 0.585 -0.407 1.216) 1.410 5.570 ( 0.527 -0.814 -1.744) 1.996 5.570 ( -0.527 -0.814 1.744) 1.996 5.625 ( -0.335 -3.140 -0.869) 3.275 5.625 ( 0.335 -3.140 0.869) 3.275 5.668 ( -0.088 -0.600 -1.235) 1.376 5.668 ( 0.088 -0.600 1.235) 1.376 5.857 ( -1.427 0.473 -2.840) 3.214 5.857 ( 1.427 0.473 2.840) 3.214 5.872 ( -1.001 -1.005 -2.220) 2.634 5.872 ( 1.001 -1.005 2.220) 2.634 6.116 ( 0.327 -0.802 -0.701) 1.114 6.116 ( -0.327 -0.802 0.701) 1.114 6.287 ( 0.755 2.094 -0.606) 2.307 6.287 ( -0.755 2.094 0.606) 2.307 6.464 ( -1.888 -0.584 -0.829) 2.143 6.464 ( 1.888 -0.584 0.829) 2.143 6.608 ( -4.943 4.538 -2.370) 7.116 6.608 ( 4.943 4.538 2.370) 7.116 6.697 ( -3.087 -2.211 -2.067) 4.323 6.697 ( 3.087 -2.211 2.067) 4.323 6.839 ( 0.516 0.861 -0.680) 1.213 6.839 ( -0.516 0.861 0.680) 1.213 7.053 ( 1.208 -6.381 -1.239) 6.612 7.053 ( -1.208 -6.381 1.239) 6.612 7.089 ( -0.594 1.042 -0.300) 1.237 7.089 ( 0.594 1.042 0.300) 1.237 7.320 ( -0.210 -0.412 -0.607) 0.763 7.320 ( 0.210 -0.412 0.607) 0.763 7.748 ( -2.371 0.734 -0.418) 2.517 7.748 ( 2.371 0.734 0.418) 2.517 7.777 ( -1.955 -0.186 -0.452) 2.016 7.777 ( 1.955 -0.186 0.452) 2.016 9.160 ( -0.556 -0.185 -0.255) 0.639 9.160 ( 0.556 -0.185 0.255) 0.639 9.293 ( -1.024 0.369 -0.178) 1.103 9.293 ( 1.024 0.369 0.178) 1.103 13.001 ( -0.287 -0.386 -0.175) 0.512 13.001 ( 0.287 -0.386 0.175) 0.512 13.204 ( -0.092 -0.293 -0.157) 0.345 13.204 ( 0.092 -0.293 0.157) 0.345 14.065 ( -1.586 -0.194 0.288) 1.624 14.065 ( 1.586 -0.194 -0.288) 1.624 14.097 ( -1.499 -0.481 -0.027) 1.574 14.097 ( 1.499 -0.481 0.027) 1.574 15.289 ( -0.324 -0.150 -0.245) 0.433 15.289 ( 0.324 -0.150 0.245) 0.433 15.395 ( -0.713 0.185 -0.325) 0.805 15.395 ( 0.713 0.185 0.325) 0.805 15.523 ( 0.047 -0.971 -0.966) 1.371 15.523 ( -0.047 -0.971 0.966) 1.371 15.686 ( 0.190 -0.309 -0.453) 0.580 15.686 ( -0.190 -0.309 0.453) 0.580 16.466 ( 0.733 4.892 -3.328) 5.962 16.466 ( -0.733 4.892 3.328) 5.962 16.592 ( -0.141 -5.621 -4.147) 6.986 16.592 ( 0.141 -5.621 4.147) 6.986 17.048 ( -0.434 -0.273 -0.478) 0.701 17.048 ( 0.434 -0.273 0.478) 0.701 17.131 ( -0.416 -0.517 -0.910) 1.127 17.131 ( 0.416 -0.517 0.910) 1.127 17.673 ( 0.132 0.545 -0.503) 0.753 17.673 ( -0.132 0.545 0.503) 0.753 17.758 ( 0.051 0.084 -0.215) 0.236 17.758 ( -0.051 0.084 0.215) 0.236 18.204 ( 0.675 2.024 -1.905) 2.860 18.204 ( -0.675 2.024 1.905) 2.860 18.374 ( 0.150 0.337 -1.569) 1.612 18.374 ( -0.150 0.337 1.569) 1.612 18.683 ( -0.099 0.911 -0.417) 1.006 18.683 ( 0.099 0.911 0.417) 1.006 18.786 ( 0.652 0.375 -0.841) 1.128 18.786 ( -0.652 0.375 0.841) 1.128 19.060 ( -0.155 -0.305 -1.184) 1.232 19.060 ( 0.155 -0.305 1.184) 1.232 19.761 ( 0.216 1.102 -0.837) 1.400 19.761 ( -0.216 1.102 0.837) 1.400 ======================= Grid point 117 (54/56) ======================= q-point: ( 0.17 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -9.950 6.473 -1.155) 11.927 1.131 ( -9.231 -0.007 3.060) 9.725 1.253 ( -4.091 5.399 -5.679) 8.840 1.380 ( -6.316 -3.993 -2.576) 7.904 1.478 ( 2.882 3.469 -3.624) 5.785 1.507 ( -3.307 2.711 3.402) 5.464 1.559 ( -3.496 3.593 -0.235) 5.019 1.671 ( 0.952 -0.801 -2.944) 3.196 1.720 ( 1.844 1.828 2.285) 3.459 1.767 ( 0.702 0.091 3.342) 3.417 1.844 ( -3.029 3.724 -0.448) 4.821 1.931 ( -6.821 -2.533 -0.610) 7.301 2.015 ( -1.238 3.700 1.741) 4.273 2.060 ( 0.959 1.021 0.790) 1.608 2.098 ( -2.567 0.797 -0.077) 2.689 2.126 ( -4.888 -0.517 -0.173) 4.918 2.297 ( -4.642 -0.915 1.937) 5.112 2.316 ( -2.637 4.798 -1.938) 5.808 2.345 ( -1.950 0.970 -1.527) 2.660 2.370 ( 0.703 -2.640 -1.992) 3.381 2.421 ( -1.336 5.138 -1.196) 5.442 2.515 ( -2.377 -3.588 1.321) 4.502 2.676 ( -0.463 1.544 -3.710) 4.045 2.704 ( 0.614 -0.637 2.066) 2.247 2.768 ( -3.920 1.888 -1.670) 4.660 2.842 ( -4.313 -3.247 -0.877) 5.469 2.877 ( -0.447 2.496 -1.570) 2.983 2.919 ( 0.842 -1.682 -2.783) 3.359 2.973 ( -2.447 1.507 1.772) 3.377 3.048 ( -2.577 -3.526 1.522) 4.625 3.125 ( 2.316 4.667 0.493) 5.233 3.180 ( 3.318 -0.261 3.649) 4.938 3.203 ( 1.173 4.059 2.781) 5.058 3.291 ( 0.088 -2.610 1.561) 3.042 3.379 ( 1.968 1.597 0.617) 2.608 3.415 ( -0.241 -0.831 2.889) 3.016 3.554 ( 1.650 0.576 -2.627) 3.155 3.585 ( 0.499 -1.131 -1.720) 2.118 3.647 ( -0.217 4.756 -1.456) 4.979 3.690 ( 4.584 0.240 -0.953) 4.688 3.717 ( 0.796 4.263 1.834) 4.708 3.779 ( -0.848 -2.080 2.660) 3.481 3.844 ( -0.832 5.472 -0.916) 5.610 3.854 ( 0.430 0.897 0.400) 1.072 3.931 ( 3.586 -3.076 -1.414) 4.931 3.952 ( 1.422 -2.115 -0.346) 2.572 4.009 ( -1.533 0.466 -0.330) 1.635 4.050 ( -1.452 -1.915 2.208) 3.264 4.134 ( 0.276 6.658 -0.791) 6.711 4.192 ( 2.630 0.493 -0.269) 2.690 4.221 ( -0.472 -0.456 1.963) 2.069 4.285 ( 3.205 -2.051 0.311) 3.818 4.521 ( -0.100 2.522 -2.341) 3.442 4.577 ( 0.066 1.219 0.844) 1.484 4.599 ( 0.616 -2.754 -1.098) 3.028 4.664 ( 2.676 -5.544 1.756) 6.402 4.936 ( -3.048 1.570 2.289) 4.122 4.959 ( -2.873 -1.268 1.956) 3.700 4.993 ( -1.448 2.009 -2.441) 3.478 5.013 ( -1.039 -0.755 -2.383) 2.707 5.121 ( 0.430 2.360 0.842) 2.543 5.144 ( 2.535 0.422 1.246) 2.856 5.235 ( -2.557 0.082 -0.785) 2.676 5.249 ( -1.276 -1.011 -2.396) 2.897 5.338 ( 2.729 2.040 2.278) 4.099 5.360 ( 3.696 0.250 0.695) 3.769 5.472 ( 0.065 1.678 -0.753) 1.840 5.518 ( 1.010 -2.298 -0.722) 2.612 5.548 ( -0.711 -0.113 -0.964) 1.203 5.585 ( 0.743 -3.148 -0.892) 3.355 5.610 ( -0.721 -1.390 0.292) 1.593 5.632 ( -0.192 -2.514 0.860) 2.664 5.682 ( 1.725 -0.127 -0.829) 1.918 5.702 ( 2.023 -1.671 0.855) 2.760 5.814 ( -0.972 0.389 -0.405) 1.122 5.833 ( -1.133 -1.227 0.534) 1.753 5.930 ( 2.502 0.274 1.922) 3.167 5.937 ( 3.054 -0.454 1.817) 3.582 6.078 ( -3.066 0.149 -1.277) 3.324 6.094 ( -2.291 -1.224 -1.534) 3.016 6.289 ( 0.970 1.672 0.406) 1.975 6.304 ( 1.348 0.908 -1.976) 2.559 6.414 ( -3.402 2.898 1.520) 4.720 6.482 ( -1.962 -1.305 -1.275) 2.679 6.512 ( 0.014 2.791 -0.748) 2.889 6.612 ( -1.987 -4.603 -2.531) 5.616 6.705 ( 3.409 3.631 0.887) 5.059 6.757 ( 2.280 -0.380 0.431) 2.352 6.907 ( 4.201 0.357 1.423) 4.450 6.930 ( 5.124 -1.113 1.415) 5.431 7.058 ( 1.759 -2.152 0.618) 2.847 7.081 ( 0.781 1.668 -0.565) 1.926 7.088 ( 3.500 -3.289 -1.376) 4.996 7.117 ( 2.883 -2.658 0.044) 3.921 7.368 ( 5.341 2.365 0.075) 5.842 7.411 ( 7.045 -1.873 -0.222) 7.293 7.649 ( -5.337 1.035 0.297) 5.445 7.700 ( -4.781 -3.388 0.242) 5.865 7.774 ( -0.511 4.158 -0.147) 4.192 7.844 ( 2.831 -2.236 -0.154) 3.610 9.115 ( -3.428 0.598 -0.199) 3.485 9.139 ( -2.669 -1.479 0.026) 3.051 9.230 ( -4.891 1.666 0.008) 5.167 9.267 ( -3.722 -1.581 0.182) 4.048 12.971 ( -2.090 0.180 0.018) 2.098 12.986 ( -1.765 -1.120 -0.034) 2.091 13.208 ( 0.488 -0.113 -0.164) 0.527 13.211 ( 0.444 -0.430 0.039) 0.619 14.030 ( -1.293 0.284 0.067) 1.325 14.044 ( -1.389 -0.995 -0.254) 1.727 14.152 ( 4.439 0.308 -0.086) 4.450 14.165 ( 4.022 -0.826 0.647) 4.157 15.289 ( 0.422 0.858 0.584) 1.120 15.309 ( 1.218 -1.082 0.635) 1.749 15.384 ( -0.361 1.409 -0.094) 1.457 15.414 ( 0.713 -1.369 0.712) 1.699 15.514 ( -0.144 0.028 -0.985) 0.995 15.530 ( 0.277 -1.381 0.056) 1.409 15.673 ( -1.191 -0.215 0.090) 1.213 15.677 ( -0.882 -0.478 -0.348) 1.062 16.431 ( -1.633 4.290 0.096) 4.591 16.487 ( 0.367 2.733 -1.672) 3.225 16.556 ( -0.718 -3.317 -1.129) 3.577 16.615 ( -0.435 -5.237 2.813) 5.960 17.028 ( -0.910 0.561 -0.031) 1.069 17.053 ( -0.292 -1.622 -0.393) 1.694 17.119 ( -0.356 0.605 -0.321) 0.772 17.139 ( -0.400 -1.202 0.937) 1.576 17.684 ( 1.232 1.028 0.112) 1.609 17.694 ( 1.627 0.192 -0.057) 1.639 17.760 ( 0.454 0.105 -0.542) 0.715 17.762 ( 0.444 0.078 -0.058) 0.455 18.198 ( -0.689 2.241 0.952) 2.531 18.203 ( 0.017 1.779 -0.951) 2.017 18.352 ( -1.311 1.020 -1.073) 1.977 18.367 ( -1.523 -0.337 1.434) 2.119 18.652 ( -1.803 1.598 -0.093) 2.411 18.669 ( -1.449 0.037 -0.601) 1.569 18.797 ( 1.030 0.964 0.214) 1.426 18.807 ( 1.649 0.037 -1.239) 2.062 19.060 ( 0.663 0.756 0.047) 1.007 19.079 ( 0.831 -0.916 1.459) 1.913 19.728 ( -2.690 1.459 -0.714) 3.142 19.734 ( -2.763 0.924 0.202) 2.921 ======================= Grid point 118 (55/56) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -0.013 4.458 -0.228) 4.464 1.044 ( -1.213 -5.403 1.140) 5.654 1.128 ( -3.609 3.266 -1.900) 5.225 1.231 ( -7.666 -5.407 -1.950) 9.582 1.410 ( -5.429 7.022 1.826) 9.062 1.476 ( -0.840 3.526 -5.374) 6.482 1.533 ( 0.457 -1.878 -4.540) 4.935 1.623 ( -5.882 -7.243 2.819) 9.748 1.720 ( -3.013 3.797 -1.298) 5.019 1.754 ( -2.383 2.665 3.599) 5.073 1.798 ( -1.895 1.614 -2.509) 3.534 1.817 ( -1.275 1.050 0.719) 1.801 1.890 ( -7.478 2.543 1.888) 8.121 2.006 ( -6.157 -5.941 2.793) 9.000 2.060 ( -3.037 -1.145 1.108) 3.430 2.069 ( -2.827 -1.851 -1.181) 3.580 2.200 ( -2.696 6.211 -0.122) 6.772 2.274 ( -3.733 2.068 -1.198) 4.432 2.334 ( 2.713 -1.159 -2.027) 3.580 2.362 ( -0.458 -4.767 2.609) 5.454 2.439 ( 2.693 4.266 -1.842) 5.371 2.497 ( -0.012 -1.598 -0.580) 1.700 2.628 ( -1.464 3.224 -0.709) 3.611 2.683 ( -3.337 0.921 -2.413) 4.220 2.714 ( -0.859 -2.719 1.421) 3.186 2.742 ( -2.264 -4.317 -3.377) 5.930 2.874 ( -0.339 2.803 -1.037) 3.008 2.919 ( -1.149 -1.682 -1.541) 2.554 2.963 ( 0.550 2.886 3.217) 4.357 3.018 ( -0.878 -1.534 1.891) 2.589 3.176 ( 2.602 6.981 0.784) 7.492 3.253 ( 1.979 0.829 2.521) 3.311 3.271 ( 2.998 2.575 0.935) 4.062 3.312 ( 0.390 1.538 2.017) 2.566 3.362 ( -1.847 1.141 -1.473) 2.624 3.386 ( -3.312 0.032 2.807) 4.342 3.567 ( -0.372 3.826 0.755) 3.918 3.597 ( 0.274 1.544 -1.630) 2.262 3.634 ( 2.100 2.931 -4.323) 5.629 3.714 ( -2.850 -0.932 3.051) 4.277 3.771 ( 2.667 2.073 -0.100) 3.380 3.793 ( 1.038 0.769 0.030) 1.292 3.830 ( 0.733 2.068 0.491) 2.248 3.869 ( 0.638 -0.132 -0.591) 0.880 3.952 ( -0.553 -0.110 0.032) 0.565 3.963 ( 0.171 -0.936 -0.905) 1.313 4.022 ( 1.686 -1.365 0.401) 2.206 4.039 ( -0.395 -0.803 1.689) 1.912 4.154 ( 1.731 5.738 0.309) 6.001 4.224 ( -0.299 1.019 0.864) 1.369 4.260 ( 3.971 -3.065 -0.925) 5.101 4.340 ( 0.976 -6.018 1.252) 6.224 4.532 ( 2.918 5.772 -1.202) 6.578 4.575 ( 1.161 1.262 -1.185) 2.084 4.652 ( 4.132 1.071 0.256) 4.276 4.751 ( 4.934 -5.014 -0.045) 7.035 4.873 ( -5.015 2.659 1.147) 5.791 4.907 ( -3.148 -0.653 2.814) 4.273 4.947 ( -2.391 1.053 -0.884) 2.758 4.975 ( -1.276 -0.788 -1.991) 2.492 5.099 ( -1.937 2.910 0.032) 3.496 5.165 ( -3.746 -0.880 -0.592) 3.893 5.194 ( 1.384 -0.382 1.380) 1.992 5.224 ( 0.067 -1.401 -1.633) 2.153 5.410 ( 2.852 2.751 2.151) 4.509 5.435 ( 3.216 0.848 0.320) 3.342 5.495 ( 2.178 1.066 -0.228) 2.436 5.522 ( -0.621 0.381 0.352) 0.809 5.543 ( 1.152 -2.256 -2.232) 3.376 5.560 ( -2.024 -2.567 -0.894) 3.389 5.624 ( 1.030 -0.680 0.925) 1.542 5.640 ( 0.789 -2.265 0.522) 2.454 5.702 ( 0.712 -0.603 -1.548) 1.807 5.723 ( -0.330 -2.234 -0.302) 2.278 5.813 ( 0.662 0.739 0.837) 1.298 5.834 ( 0.348 -0.863 1.358) 1.646 5.955 ( -1.605 1.704 0.726) 2.451 5.986 ( -0.543 -0.889 0.742) 1.279 6.018 ( -0.895 -0.625 -0.300) 1.133 6.031 ( -1.062 -2.168 -1.232) 2.710 6.292 ( -0.485 0.834 -0.746) 1.219 6.306 ( -0.801 -0.249 -1.246) 1.502 6.398 ( 1.472 4.539 1.601) 5.033 6.449 ( -0.094 0.606 -1.391) 1.520 6.534 ( 1.329 -0.336 0.586) 1.491 6.582 ( -0.196 -3.963 -2.015) 4.450 6.768 ( 2.329 0.991 0.660) 2.616 6.795 ( 1.213 -1.448 -0.108) 1.892 6.971 ( 1.930 0.654 0.549) 2.110 6.989 ( 0.950 -1.360 1.334) 2.128 7.088 ( 2.125 3.940 -0.355) 4.490 7.139 ( 4.354 -0.453 -0.390) 4.395 7.179 ( 5.037 -0.483 -0.785) 5.121 7.203 ( 3.224 -1.830 0.398) 3.728 7.474 ( -1.164 1.752 0.086) 2.105 7.501 ( 7.438 5.584 -0.204) 9.303 7.589 ( -5.829 -5.045 -0.132) 7.710 7.659 ( 6.349 -5.902 0.097) 8.669 7.740 ( -2.419 6.669 0.010) 7.094 7.870 ( -0.539 -4.877 0.135) 4.909 9.048 ( -2.648 0.182 -0.066) 2.655 9.075 ( -3.217 -2.126 -0.268) 3.865 9.128 ( -4.776 1.096 0.308) 4.910 9.168 ( -5.670 -2.451 0.058) 6.177 12.935 ( -1.284 -0.104 0.010) 1.289 12.948 ( -1.769 -1.138 -0.032) 2.104 13.216 ( 0.427 -0.139 -0.125) 0.466 13.219 ( 0.292 -0.341 -0.035) 0.451 14.015 ( -0.394 0.031 0.078) 0.402 14.022 ( -0.709 -0.686 -0.137) 0.996 14.233 ( 3.518 0.167 -0.386) 3.543 14.240 ( 2.781 -0.523 0.932) 2.979 15.309 ( 1.058 1.518 0.892) 2.054 15.336 ( 0.735 -0.600 0.625) 1.136 15.382 ( 0.413 0.985 -0.061) 1.070 15.423 ( -0.428 -2.555 0.459) 2.630 15.511 ( 0.699 1.014 -0.964) 1.564 15.534 ( -0.001 -1.083 -0.036) 1.083 15.647 ( -1.259 -0.287 -0.029) 1.291 15.652 ( -1.223 -0.688 -0.269) 1.429 16.410 ( -0.714 2.626 0.800) 2.836 16.454 ( -1.520 -0.573 -2.650) 3.108 16.563 ( 1.215 -0.082 0.044) 1.218 16.611 ( -1.389 -3.584 1.891) 4.284 17.018 ( -0.159 0.231 0.328) 0.431 17.039 ( -0.574 -1.611 -0.781) 1.880 17.112 ( -0.246 0.516 -0.051) 0.573 17.128 ( -1.094 -0.936 0.669) 1.588 17.714 ( 1.484 1.226 0.173) 1.933 17.725 ( 1.338 0.384 -0.168) 1.402 17.769 ( 0.632 0.092 -0.360) 0.733 17.773 ( 0.627 -0.107 -0.204) 0.668 18.191 ( -0.522 2.187 0.966) 2.447 18.195 ( -0.090 1.858 -1.064) 2.143 18.319 ( -1.016 1.124 -1.133) 1.892 18.337 ( -2.259 -0.432 1.515) 2.754 18.626 ( -0.873 1.425 0.326) 1.703 18.638 ( -1.141 0.296 -0.523) 1.289 18.815 ( 0.647 0.850 -0.016) 1.068 18.823 ( 0.790 0.042 -1.363) 1.576 19.085 ( 1.527 1.324 0.606) 2.110 19.105 ( 0.901 -0.436 0.839) 1.306 19.665 ( -2.585 1.580 -1.211) 3.263 19.672 ( -3.268 0.879 0.608) 3.438 ======================= Grid point 119 (56/56) ======================= q-point: ( 0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -5.034 -0.200 -2.044) 5.437 1.024 ( 5.034 -0.200 2.044) 5.437 1.093 ( 0.847 -2.321 -2.362) 3.418 1.093 ( -0.847 -2.321 2.362) 3.418 1.395 ( -1.879 1.796 -3.434) 4.307 1.395 ( 1.879 1.796 3.434) 4.307 1.536 ( 4.348 -2.948 -5.422) 7.549 1.536 ( -4.348 -2.948 5.422) 7.549 1.688 ( 1.733 1.292 -1.941) 2.905 1.688 ( -1.733 1.292 1.941) 2.905 1.810 ( 2.581 0.337 -2.315) 3.483 1.810 ( -2.581 0.337 2.315) 3.483 1.888 ( -5.148 -0.023 -0.566) 5.179 1.888 ( 5.148 -0.023 0.566) 5.179 2.022 ( 0.581 -2.011 -2.710) 3.424 2.022 ( -0.581 -2.011 2.710) 3.424 2.200 ( -1.717 2.959 -1.506) 3.738 2.200 ( 1.717 2.959 1.506) 3.738 2.367 ( 1.645 -2.270 -2.802) 3.963 2.367 ( -1.645 -2.270 2.802) 3.963 2.482 ( -0.379 1.462 -0.732) 1.678 2.482 ( 0.379 1.462 0.732) 1.678 2.627 ( -0.184 1.836 -2.853) 3.397 2.627 ( 0.184 1.836 2.853) 3.397 2.709 ( 0.732 -3.812 -3.189) 5.024 2.709 ( -0.732 -3.812 3.189) 5.024 2.877 ( 0.052 0.076 -2.402) 2.404 2.877 ( -0.052 0.076 2.402) 2.404 3.005 ( -1.111 1.825 -1.459) 2.587 3.005 ( 1.111 1.825 1.459) 2.587 3.240 ( -2.351 5.987 -3.276) 7.219 3.240 ( 2.351 5.987 3.276) 7.219 3.318 ( -0.895 -0.273 -4.705) 4.797 3.318 ( 0.895 -0.273 4.705) 4.797 3.347 ( -0.889 1.077 -0.045) 1.398 3.347 ( 0.889 1.077 0.045) 1.398 3.573 ( -0.225 5.401 -2.395) 5.912 3.573 ( 0.225 5.401 2.395) 5.912 3.671 ( 3.256 -1.074 -4.338) 5.529 3.671 ( -3.256 -1.074 4.338) 5.529 3.795 ( -0.361 1.502 -0.282) 1.571 3.795 ( 0.361 1.502 0.282) 1.571 3.863 ( 0.358 0.041 -2.085) 2.116 3.863 ( -0.358 0.041 2.085) 2.116 3.952 ( -0.048 0.543 -0.807) 0.974 3.952 ( 0.048 0.543 0.807) 0.974 4.041 ( 0.485 -0.653 -2.606) 2.730 4.041 ( -0.485 -0.653 2.606) 2.730 4.200 ( -1.082 3.094 -1.331) 3.537 4.200 ( 1.082 3.094 1.331) 3.537 4.324 ( -0.211 -5.636 -1.800) 5.920 4.324 ( 0.211 -5.636 1.800) 5.920 4.587 ( -0.022 2.696 -1.226) 2.962 4.587 ( 0.022 2.696 1.226) 2.962 4.748 ( -2.287 6.092 -1.937) 6.789 4.748 ( 2.287 6.092 1.937) 6.789 4.848 ( 3.469 -1.675 -3.277) 5.057 4.848 ( -3.469 -1.675 3.277) 5.057 4.938 ( -1.151 -1.802 -1.471) 2.595 4.938 ( 1.151 -1.802 1.471) 2.595 5.099 ( -1.884 -0.791 -0.169) 2.050 5.099 ( 1.884 -0.791 0.169) 2.050 5.216 ( -0.230 -0.565 -1.255) 1.395 5.216 ( 0.230 -0.565 1.255) 1.395 5.463 ( -0.836 1.765 -1.146) 2.264 5.463 ( 0.836 1.765 1.146) 2.264 5.514 ( 0.820 0.361 -2.208) 2.383 5.514 ( -0.820 0.361 2.208) 2.383 5.541 ( -0.639 -1.510 -1.411) 2.163 5.541 ( 0.639 -1.510 1.411) 2.163 5.650 ( -0.233 -1.201 -1.015) 1.590 5.650 ( 0.233 -1.201 1.015) 1.590 5.704 ( 0.603 -1.665 -0.444) 1.826 5.704 ( -0.603 -1.665 0.444) 1.826 5.836 ( -0.368 0.573 -0.770) 1.028 5.836 ( 0.368 0.573 0.770) 1.028 5.939 ( -0.875 -0.417 -0.773) 1.240 5.939 ( 0.875 -0.417 0.773) 1.240 6.030 ( -0.088 -1.735 -0.450) 1.795 6.030 ( 0.088 -1.735 0.450) 1.795 6.285 ( 0.167 0.340 -1.056) 1.122 6.285 ( -0.167 0.340 1.056) 1.122 6.437 ( -0.330 2.685 -1.819) 3.260 6.437 ( 0.330 2.685 1.819) 3.260 6.563 ( -0.680 -2.143 -1.459) 2.680 6.563 ( 0.680 -2.143 1.459) 2.680 6.799 ( -0.128 -0.931 -0.876) 1.285 6.799 ( 0.128 -0.931 0.876) 1.285 6.996 ( 0.455 0.337 -0.451) 0.724 6.996 ( -0.455 0.337 0.451) 0.724 7.157 ( -2.096 4.722 -1.295) 5.327 7.157 ( 2.096 4.722 1.295) 5.327 7.224 ( -0.429 -1.661 -0.744) 1.870 7.224 ( 0.429 -1.661 0.744) 1.870 7.491 ( -2.295 -4.360 -0.979) 5.024 7.491 ( 2.295 -4.360 0.979) 5.024 7.636 ( -5.997 8.068 0.231) 10.056 7.636 ( 5.997 8.068 -0.231) 10.056 7.813 ( -5.477 -6.428 0.175) 8.446 7.813 ( 5.477 -6.428 -0.175) 8.446 9.031 ( -0.804 -1.007 -0.331) 1.330 9.031 ( 0.804 -1.007 0.331) 1.330 9.089 ( -1.244 -1.331 -0.386) 1.862 9.089 ( 1.244 -1.331 0.386) 1.862 12.926 ( -0.255 -0.695 -0.086) 0.745 12.926 ( 0.255 -0.695 0.086) 0.745 13.221 ( 0.028 -0.225 -0.036) 0.230 13.221 ( -0.028 -0.225 0.036) 0.230 14.013 ( -0.129 -0.326 -0.142) 0.378 14.013 ( 0.129 -0.326 0.142) 0.378 14.270 ( 0.449 -0.126 -0.769) 0.899 14.270 ( -0.449 -0.126 0.769) 0.899 15.334 ( 0.079 1.489 -1.642) 2.218 15.334 ( -0.079 1.489 1.642) 2.218 15.403 ( -1.367 -1.703 -0.266) 2.200 15.403 ( 1.367 -1.703 0.266) 2.200 15.526 ( 0.027 0.151 -0.237) 0.282 15.526 ( -0.027 0.151 0.237) 0.282 15.635 ( -0.209 -0.650 -0.049) 0.685 15.635 ( 0.209 -0.650 0.049) 0.685 16.417 ( -0.406 0.629 -2.129) 2.256 16.417 ( 0.406 0.629 2.129) 2.256 16.589 ( 0.771 -1.444 -1.127) 1.988 16.589 ( -0.771 -1.444 1.127) 1.988 17.025 ( -0.395 -0.752 -0.638) 1.062 17.025 ( 0.395 -0.752 0.638) 1.062 17.113 ( 0.416 -0.181 -0.311) 0.550 17.113 ( -0.416 -0.181 0.311) 0.550 17.735 ( 0.170 1.011 -1.033) 1.455 17.735 ( -0.170 1.011 1.033) 1.455 17.777 ( 0.137 -0.186 -0.611) 0.653 17.777 ( -0.137 -0.186 0.611) 0.653 18.190 ( 0.744 2.089 -2.413) 3.277 18.190 ( -0.744 2.089 2.413) 3.277 18.311 ( 0.989 0.297 -1.682) 1.974 18.311 ( -0.989 0.297 1.682) 1.974 18.622 ( -0.189 0.897 -0.463) 1.027 18.622 ( 0.189 0.897 0.463) 1.027 18.823 ( 0.005 0.383 -0.744) 0.837 18.823 ( -0.005 0.383 0.744) 0.837 19.112 ( -0.577 0.757 -0.146) 0.963 19.112 ( 0.577 0.757 0.146) 0.963 19.635 ( 0.600 1.153 -1.079) 1.689 19.635 ( -0.600 1.153 1.079) 1.689 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/24192 10.0 31.320 22.641 41.163 0.000 7.331 0.000 3/24192 20.0 4.385 3.474 5.979 0.000 0.460 0.000 3/24192 30.0 1.922 1.589 2.611 0.000 0.138 0.000 3/24192 40.0 1.199 1.025 1.614 0.000 0.065 0.000 3/24192 50.0 0.875 0.770 1.167 0.000 0.037 0.000 3/24192 60.0 0.695 0.626 0.918 0.000 0.024 0.000 3/24192 70.0 0.582 0.533 0.760 0.000 0.016 0.000 3/24192 80.0 0.504 0.467 0.650 0.000 0.012 0.000 3/24192 90.0 0.446 0.417 0.569 0.000 0.009 0.000 3/24192 100.0 0.401 0.378 0.507 0.000 0.007 0.000 3/24192 110.0 0.365 0.346 0.457 0.000 0.006 0.000 3/24192 120.0 0.336 0.320 0.417 0.000 0.005 0.000 3/24192 130.0 0.311 0.297 0.384 0.000 0.004 0.000 3/24192 140.0 0.290 0.278 0.355 0.000 0.003 0.000 3/24192 150.0 0.271 0.261 0.331 0.000 0.003 0.000 3/24192 160.0 0.255 0.246 0.310 0.000 0.002 0.000 3/24192 170.0 0.241 0.233 0.291 0.000 0.002 0.000 3/24192 180.0 0.228 0.221 0.275 0.000 0.002 0.000 3/24192 190.0 0.217 0.210 0.261 0.000 0.002 0.000 3/24192 200.0 0.207 0.200 0.248 0.000 0.001 0.000 3/24192 210.0 0.197 0.192 0.236 0.000 0.001 0.000 3/24192 220.0 0.189 0.184 0.225 0.000 0.001 0.000 3/24192 230.0 0.181 0.176 0.215 0.000 0.001 0.000 3/24192 240.0 0.174 0.170 0.207 0.000 0.001 0.000 3/24192 250.0 0.167 0.163 0.198 0.000 0.001 0.000 3/24192 260.0 0.161 0.157 0.191 0.000 0.001 0.000 3/24192 270.0 0.155 0.152 0.184 0.000 0.001 0.000 3/24192 280.0 0.150 0.147 0.178 0.000 0.000 0.000 3/24192 290.0 0.145 0.142 0.172 0.000 0.000 0.000 3/24192 300.0 0.140 0.138 0.166 0.000 0.000 0.000 3/24192 310.0 0.136 0.134 0.161 0.000 0.000 0.000 3/24192 320.0 0.132 0.130 0.156 0.000 0.000 0.000 3/24192 330.0 0.128 0.126 0.151 0.000 0.000 0.000 3/24192 340.0 0.124 0.123 0.147 0.000 0.000 0.000 3/24192 350.0 0.121 0.119 0.143 0.000 0.000 0.000 3/24192 360.0 0.118 0.116 0.139 0.000 0.000 0.000 3/24192 370.0 0.114 0.113 0.135 0.000 0.000 0.000 3/24192 380.0 0.112 0.110 0.132 0.000 0.000 0.000 3/24192 390.0 0.109 0.108 0.128 0.000 0.000 0.000 3/24192 400.0 0.106 0.105 0.125 0.000 0.000 0.000 3/24192 410.0 0.104 0.103 0.122 0.000 -0.000 0.000 3/24192 420.0 0.101 0.100 0.119 0.000 -0.000 0.000 3/24192 430.0 0.099 0.098 0.116 0.000 -0.000 0.000 3/24192 440.0 0.097 0.096 0.114 0.000 -0.000 0.000 3/24192 450.0 0.095 0.094 0.111 0.000 -0.000 0.000 3/24192 460.0 0.093 0.092 0.109 0.000 -0.000 0.000 3/24192 470.0 0.091 0.090 0.107 0.000 -0.000 0.000 3/24192 480.0 0.089 0.088 0.105 0.000 -0.000 0.000 3/24192 490.0 0.087 0.086 0.102 0.000 -0.000 0.000 3/24192 500.0 0.085 0.085 0.100 0.000 -0.000 0.000 3/24192 510.0 0.084 0.083 0.098 0.000 -0.000 0.000 3/24192 520.0 0.082 0.082 0.097 0.000 -0.000 0.000 3/24192 530.0 0.081 0.080 0.095 0.000 -0.000 0.000 3/24192 540.0 0.079 0.079 0.093 0.000 -0.000 0.000 3/24192 550.0 0.078 0.077 0.091 0.000 -0.000 0.000 3/24192 560.0 0.076 0.076 0.090 0.000 -0.000 0.000 3/24192 570.0 0.075 0.075 0.088 0.000 -0.000 0.000 3/24192 580.0 0.074 0.073 0.087 0.000 -0.000 0.000 3/24192 590.0 0.072 0.072 0.085 0.000 -0.000 0.000 3/24192 600.0 0.071 0.071 0.084 0.000 -0.000 0.000 3/24192 610.0 0.070 0.070 0.082 0.000 -0.000 0.000 3/24192 620.0 0.069 0.069 0.081 0.000 -0.000 0.000 3/24192 630.0 0.068 0.068 0.080 0.000 -0.000 0.000 3/24192 640.0 0.067 0.067 0.079 0.000 -0.000 0.000 3/24192 650.0 0.066 0.066 0.077 0.000 -0.000 0.000 3/24192 660.0 0.065 0.065 0.076 0.000 -0.000 0.000 3/24192 670.0 0.064 0.064 0.075 0.000 -0.000 0.000 3/24192 680.0 0.063 0.063 0.074 0.000 -0.000 0.000 3/24192 690.0 0.062 0.062 0.073 0.000 -0.000 0.000 3/24192 700.0 0.061 0.061 0.072 0.000 -0.000 0.000 3/24192 710.0 0.060 0.060 0.071 0.000 -0.000 0.000 3/24192 720.0 0.060 0.059 0.070 0.000 -0.000 0.000 3/24192 730.0 0.059 0.059 0.069 0.000 -0.000 0.000 3/24192 740.0 0.058 0.058 0.068 0.000 -0.000 0.000 3/24192 750.0 0.057 0.057 0.067 0.000 -0.000 0.000 3/24192 760.0 0.056 0.056 0.066 0.000 -0.000 0.000 3/24192 770.0 0.056 0.056 0.065 0.000 -0.000 0.000 3/24192 780.0 0.055 0.055 0.065 0.000 -0.000 0.000 3/24192 790.0 0.054 0.054 0.064 0.000 -0.000 0.000 3/24192 800.0 0.054 0.054 0.063 0.000 -0.000 0.000 3/24192 810.0 0.053 0.053 0.062 0.000 -0.000 0.000 3/24192 820.0 0.052 0.052 0.062 0.000 -0.000 0.000 3/24192 830.0 0.052 0.052 0.061 0.000 -0.000 0.000 3/24192 840.0 0.051 0.051 0.060 0.000 -0.000 0.000 3/24192 850.0 0.050 0.050 0.059 0.000 -0.000 0.000 3/24192 860.0 0.050 0.050 0.059 0.000 -0.000 0.000 3/24192 870.0 0.049 0.049 0.058 0.000 -0.000 0.000 3/24192 880.0 0.049 0.049 0.057 0.000 -0.000 0.000 3/24192 890.0 0.048 0.048 0.057 0.000 -0.000 0.000 3/24192 900.0 0.048 0.048 0.056 0.000 -0.000 0.000 3/24192 910.0 0.047 0.047 0.055 0.000 -0.000 0.000 3/24192 920.0 0.047 0.047 0.055 0.000 -0.000 0.000 3/24192 930.0 0.046 0.046 0.054 0.000 -0.000 0.000 3/24192 940.0 0.046 0.046 0.054 0.000 -0.000 0.000 3/24192 950.0 0.045 0.045 0.053 0.000 -0.000 0.000 3/24192 960.0 0.045 0.045 0.053 0.000 -0.000 0.000 3/24192 970.0 0.044 0.044 0.052 0.000 -0.000 0.000 3/24192 980.0 0.044 0.044 0.052 0.000 -0.000 0.000 3/24192 990.0 0.043 0.043 0.051 0.000 -0.000 0.000 3/24192 1000.0 0.043 0.043 0.051 0.000 -0.000 0.000 3/24192 Thermal conductivity related properties were written into "kappa-m674.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:31:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|