----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:02:03]------------------------- 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: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.625888572739841 0.000000000000000 0.000000000000000 b 0.000000000000000 8.715988110000000 0.000000000000000 c -2.574020251039648 0.000000000000000 17.005796768868763 Atomic positions (fractional): *1 In 0.12002816266998 0.17907646677302 0.25238208107325 114.818 2 In 0.12002816266998 0.32092353322698 0.75238208107325 114.818 *3 In 0.61339004789381 0.40535794120060 0.25229875389511 114.818 4 In 0.38660995210619 0.90535794120060 0.24770124610489 114.818 5 In 0.87997183733002 0.67907646677302 0.24761791892675 114.818 *6 In 0.71031039682444 0.45784341035912 0.53049134636654 114.818 7 In 0.28968960317556 0.54215658964088 0.46950865363346 114.818 8 In 0.61339004789381 0.09464205879940 0.75229875389511 114.818 9 In 0.28968960317556 0.95784341035912 0.96950865363346 114.818 10 In 0.38660995210619 0.59464205879940 0.74770124610489 114.818 11 In 0.87997183733002 0.82092353322698 0.74761791892675 114.818 12 In 0.71031039682444 0.04215658964088 0.03049134636654 114.818 *13 Sn 0.79358902896327 0.46187023362787 0.91765107513526 118.710 14 Sn 0.20641097103673 0.96187023362788 0.58234892486474 118.710 15 Sn 0.20641097103673 0.53812976637212 0.08234892486474 118.710 16 Sn 0.79358902896327 0.03812976637212 0.41765107513526 118.710 *17 I 0.11390959531526 0.62542746759404 0.89363082580943 126.904 18 I 0.11390959531526 0.87457253240596 0.39363082580943 126.904 *19 I 0.75056219175701 0.45803711025555 0.73914264312626 126.904 *20 I 0.95567342893303 0.35720894890721 0.39746144304264 126.904 *21 I 0.52335990319615 0.78783104400123 0.60745965522073 126.904 *22 I 0.62486388877638 0.71925949108243 0.38619974447539 126.904 23 I 0.47664009680385 0.21216895599877 0.39254034477927 126.904 24 I 0.52335990319615 0.71216895599877 0.10745965522073 126.904 25 I 0.75056219175701 0.04196288974445 0.23914264312626 126.904 26 I 0.37513611122362 0.21925949108243 0.11380025552461 126.904 27 I 0.88609040468474 0.12542746759404 0.60636917419057 126.904 28 I 0.04432657106697 0.64279105109279 0.60253855695736 126.904 29 I 0.37513611122362 0.28074050891757 0.61380025552461 126.904 30 I 0.47664009680385 0.28783104400123 0.89254034477927 126.904 31 I 0.24943780824299 0.54196288974445 0.26085735687374 126.904 32 I 0.24943780824299 0.95803711025555 0.76085735687374 126.904 33 I 0.88609040468474 0.37457253240596 0.10636917419057 126.904 34 I 0.62486388877638 0.78074050891757 0.88619974447539 126.904 35 I 0.04432657106697 0.85720894890721 0.10253855695736 126.904 36 I 0.95567342893303 0.14279105109279 0.89746144304264 126.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.625888572739841 0.000000000000000 0.000000000000000 b 0.000000000000000 8.715988110000000 0.000000000000000 c -2.574020251039648 0.000000000000000 17.005796768868763 Atomic positions (fractional): *1 In 0.12002816266998 0.17907646677302 0.25238208107325 114.818 > 1 2 In 0.12002816266998 0.32092353322698 0.75238208107325 114.818 > 2 *3 In 0.61339004789381 0.40535794120060 0.25229875389511 114.818 > 3 4 In 0.38660995210619 0.90535794120060 0.24770124610489 114.818 > 4 5 In 0.87997183733002 0.67907646677302 0.24761791892675 114.818 > 5 *6 In 0.71031039682444 0.45784341035912 0.53049134636654 114.818 > 6 7 In 0.28968960317556 0.54215658964088 0.46950865363346 114.818 > 7 8 In 0.61339004789381 0.09464205879940 0.75229875389511 114.818 > 8 9 In 0.28968960317556 0.95784341035912 0.96950865363346 114.818 > 9 10 In 0.38660995210619 0.59464205879940 0.74770124610489 114.818 > 10 11 In 0.87997183733002 0.82092353322698 0.74761791892675 114.818 > 11 12 In 0.71031039682444 0.04215658964088 0.03049134636654 114.818 > 12 *13 Sn 0.79358902896327 0.46187023362787 0.91765107513526 118.710 > 13 14 Sn 0.20641097103673 0.96187023362788 0.58234892486474 118.710 > 14 15 Sn 0.20641097103673 0.53812976637212 0.08234892486474 118.710 > 15 16 Sn 0.79358902896327 0.03812976637212 0.41765107513526 118.710 > 16 *17 I 0.11390959531526 0.62542746759404 0.89363082580943 126.904 > 17 18 I 0.11390959531526 0.87457253240596 0.39363082580943 126.904 > 18 *19 I 0.75056219175701 0.45803711025555 0.73914264312626 126.904 > 19 *20 I 0.95567342893303 0.35720894890721 0.39746144304264 126.904 > 20 *21 I 0.52335990319615 0.78783104400123 0.60745965522073 126.904 > 21 *22 I 0.62486388877638 0.71925949108243 0.38619974447539 126.904 > 22 23 I 0.47664009680385 0.21216895599877 0.39254034477927 126.904 > 23 24 I 0.52335990319615 0.71216895599877 0.10745965522073 126.904 > 24 25 I 0.75056219175701 0.04196288974445 0.23914264312626 126.904 > 25 26 I 0.37513611122362 0.21925949108243 0.11380025552461 126.904 > 26 27 I 0.88609040468474 0.12542746759404 0.60636917419057 126.904 > 27 28 I 0.04432657106697 0.64279105109279 0.60253855695736 126.904 > 28 29 I 0.37513611122362 0.28074050891757 0.61380025552461 126.904 > 29 30 I 0.47664009680385 0.28783104400123 0.89254034477927 126.904 > 30 31 I 0.24943780824299 0.54196288974445 0.26085735687374 126.904 > 31 32 I 0.24943780824299 0.95803711025555 0.76085735687374 126.904 > 32 33 I 0.88609040468474 0.37457253240596 0.10636917419057 126.904 > 33 34 I 0.62486388877638 0.78074050891757 0.88619974447539 126.904 > 34 35 I 0.04432657106697 0.85720894890721 0.10253855695736 126.904 > 35 36 I 0.95567342893303 0.14279105109279 0.89746144304264 126.904 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.251777145479682 0.000000000000000 0.000000000000000 b 0.000000000000000 17.431976219999999 0.000000000000000 c -2.574020251039648 0.000000000000000 17.005796768868763 Atomic positions (fractional): *1 In 0.06001408133499 0.08953823338651 0.25238208107325 114.818 > 1 2 In 0.56001408133499 0.08953823338651 0.25238208107325 114.818 > 1 3 In 0.06001408133499 0.58953823338651 0.25238208107325 114.818 > 1 4 In 0.56001408133499 0.58953823338651 0.25238208107325 114.818 > 1 5 In 0.06001408133499 0.16046176661349 0.75238208107325 114.818 > 2 6 In 0.56001408133499 0.16046176661349 0.75238208107325 114.818 > 2 7 In 0.06001408133499 0.66046176661349 0.75238208107325 114.818 > 2 8 In 0.56001408133499 0.66046176661349 0.75238208107325 114.818 > 2 *9 In 0.30669502394691 0.20267897060030 0.25229875389511 114.818 > 3 10 In 0.80669502394691 0.20267897060030 0.25229875389511 114.818 > 3 11 In 0.30669502394691 0.70267897060030 0.25229875389511 114.818 > 3 12 In 0.80669502394691 0.70267897060030 0.25229875389511 114.818 > 3 13 In 0.19330497605309 0.45267897060030 0.24770124610489 114.818 > 4 14 In 0.69330497605309 0.45267897060030 0.24770124610489 114.818 > 4 15 In 0.19330497605309 0.95267897060030 0.24770124610489 114.818 > 4 16 In 0.69330497605309 0.95267897060030 0.24770124610489 114.818 > 4 17 In 0.43998591866501 0.33953823338651 0.24761791892675 114.818 > 5 18 In 0.93998591866501 0.33953823338651 0.24761791892675 114.818 > 5 19 In 0.43998591866501 0.83953823338651 0.24761791892675 114.818 > 5 20 In 0.93998591866501 0.83953823338651 0.24761791892675 114.818 > 5 *21 In 0.35515519841222 0.22892170517956 0.53049134636654 114.818 > 6 22 In 0.85515519841222 0.22892170517956 0.53049134636654 114.818 > 6 23 In 0.35515519841222 0.72892170517956 0.53049134636654 114.818 > 6 24 In 0.85515519841222 0.72892170517956 0.53049134636654 114.818 > 6 25 In 0.14484480158778 0.27107829482044 0.46950865363346 114.818 > 7 26 In 0.64484480158778 0.27107829482044 0.46950865363346 114.818 > 7 27 In 0.14484480158778 0.77107829482044 0.46950865363346 114.818 > 7 28 In 0.64484480158778 0.77107829482044 0.46950865363346 114.818 > 7 29 In 0.30669502394691 0.04732102939970 0.75229875389511 114.818 > 8 30 In 0.80669502394691 0.04732102939970 0.75229875389511 114.818 > 8 31 In 0.30669502394691 0.54732102939970 0.75229875389511 114.818 > 8 32 In 0.80669502394691 0.54732102939970 0.75229875389511 114.818 > 8 33 In 0.14484480158778 0.47892170517956 0.96950865363346 114.818 > 9 34 In 0.64484480158778 0.47892170517956 0.96950865363346 114.818 > 9 35 In 0.14484480158778 0.97892170517956 0.96950865363346 114.818 > 9 36 In 0.64484480158778 0.97892170517956 0.96950865363346 114.818 > 9 37 In 0.19330497605309 0.29732102939970 0.74770124610489 114.818 > 10 38 In 0.69330497605309 0.29732102939970 0.74770124610489 114.818 > 10 39 In 0.19330497605309 0.79732102939970 0.74770124610489 114.818 > 10 40 In 0.69330497605309 0.79732102939970 0.74770124610489 114.818 > 10 41 In 0.43998591866501 0.41046176661349 0.74761791892675 114.818 > 11 42 In 0.93998591866501 0.41046176661349 0.74761791892675 114.818 > 11 43 In 0.43998591866501 0.91046176661349 0.74761791892675 114.818 > 11 44 In 0.93998591866501 0.91046176661349 0.74761791892675 114.818 > 11 45 In 0.35515519841222 0.02107829482044 0.03049134636654 114.818 > 12 46 In 0.85515519841222 0.02107829482044 0.03049134636654 114.818 > 12 47 In 0.35515519841222 0.52107829482044 0.03049134636654 114.818 > 12 48 In 0.85515519841222 0.52107829482044 0.03049134636654 114.818 > 12 *49 Sn 0.39679451448163 0.23093511681394 0.91765107513526 118.710 > 13 50 Sn 0.89679451448163 0.23093511681394 0.91765107513526 118.710 > 13 51 Sn 0.39679451448163 0.73093511681394 0.91765107513526 118.710 > 13 52 Sn 0.89679451448163 0.73093511681394 0.91765107513526 118.710 > 13 53 Sn 0.10320548551837 0.48093511681394 0.58234892486474 118.710 > 14 54 Sn 0.60320548551837 0.48093511681394 0.58234892486474 118.710 > 14 55 Sn 0.10320548551837 0.98093511681394 0.58234892486474 118.710 > 14 56 Sn 0.60320548551837 0.98093511681394 0.58234892486474 118.710 > 14 57 Sn 0.10320548551837 0.26906488318606 0.08234892486474 118.710 > 15 58 Sn 0.60320548551837 0.26906488318606 0.08234892486474 118.710 > 15 59 Sn 0.10320548551837 0.76906488318606 0.08234892486474 118.710 > 15 60 Sn 0.60320548551837 0.76906488318606 0.08234892486474 118.710 > 15 61 Sn 0.39679451448163 0.01906488318606 0.41765107513526 118.710 > 16 62 Sn 0.89679451448163 0.01906488318606 0.41765107513526 118.710 > 16 63 Sn 0.39679451448163 0.51906488318606 0.41765107513526 118.710 > 16 64 Sn 0.89679451448163 0.51906488318606 0.41765107513526 118.710 > 16 *65 I 0.05695479765763 0.31271373379702 0.89363082580943 126.904 > 17 66 I 0.55695479765763 0.31271373379702 0.89363082580943 126.904 > 17 67 I 0.05695479765763 0.81271373379702 0.89363082580943 126.904 > 17 68 I 0.55695479765763 0.81271373379702 0.89363082580943 126.904 > 17 69 I 0.05695479765763 0.43728626620298 0.39363082580943 126.904 > 18 70 I 0.55695479765763 0.43728626620298 0.39363082580943 126.904 > 18 71 I 0.05695479765763 0.93728626620298 0.39363082580943 126.904 > 18 72 I 0.55695479765763 0.93728626620298 0.39363082580943 126.904 > 18 *73 I 0.37528109587851 0.22901855512777 0.73914264312626 126.904 > 19 74 I 0.87528109587851 0.22901855512777 0.73914264312626 126.904 > 19 75 I 0.37528109587851 0.72901855512777 0.73914264312626 126.904 > 19 76 I 0.87528109587851 0.72901855512777 0.73914264312626 126.904 > 19 *77 I 0.47783671446651 0.17860447445360 0.39746144304264 126.904 > 20 78 I 0.97783671446651 0.17860447445360 0.39746144304264 126.904 > 20 79 I 0.47783671446651 0.67860447445360 0.39746144304264 126.904 > 20 80 I 0.97783671446651 0.67860447445360 0.39746144304264 126.904 > 20 *81 I 0.26167995159807 0.39391552200061 0.60745965522073 126.904 > 21 82 I 0.76167995159807 0.39391552200061 0.60745965522073 126.904 > 21 83 I 0.26167995159807 0.89391552200061 0.60745965522073 126.904 > 21 84 I 0.76167995159807 0.89391552200061 0.60745965522073 126.904 > 21 *85 I 0.31243194438819 0.35962974554122 0.38619974447539 126.904 > 22 86 I 0.81243194438819 0.35962974554122 0.38619974447539 126.904 > 22 87 I 0.31243194438819 0.85962974554122 0.38619974447539 126.904 > 22 88 I 0.81243194438819 0.85962974554122 0.38619974447539 126.904 > 22 89 I 0.23832004840193 0.10608447799939 0.39254034477927 126.904 > 23 90 I 0.73832004840193 0.10608447799939 0.39254034477927 126.904 > 23 91 I 0.23832004840193 0.60608447799939 0.39254034477927 126.904 > 23 92 I 0.73832004840193 0.60608447799939 0.39254034477927 126.904 > 23 93 I 0.26167995159807 0.35608447799939 0.10745965522073 126.904 > 24 94 I 0.76167995159807 0.35608447799939 0.10745965522073 126.904 > 24 95 I 0.26167995159807 0.85608447799939 0.10745965522073 126.904 > 24 96 I 0.76167995159807 0.85608447799939 0.10745965522073 126.904 > 24 97 I 0.37528109587851 0.02098144487223 0.23914264312626 126.904 > 25 98 I 0.87528109587851 0.02098144487223 0.23914264312626 126.904 > 25 99 I 0.37528109587851 0.52098144487223 0.23914264312626 126.904 > 25 100 I 0.87528109587851 0.52098144487223 0.23914264312626 126.904 > 25 101 I 0.18756805561181 0.10962974554122 0.11380025552461 126.904 > 26 102 I 0.68756805561181 0.10962974554122 0.11380025552461 126.904 > 26 103 I 0.18756805561181 0.60962974554122 0.11380025552461 126.904 > 26 104 I 0.68756805561181 0.60962974554122 0.11380025552461 126.904 > 26 105 I 0.44304520234237 0.06271373379702 0.60636917419057 126.904 > 27 106 I 0.94304520234237 0.06271373379702 0.60636917419057 126.904 > 27 107 I 0.44304520234237 0.56271373379702 0.60636917419057 126.904 > 27 108 I 0.94304520234237 0.56271373379702 0.60636917419057 126.904 > 27 109 I 0.02216328553349 0.32139552554640 0.60253855695736 126.904 > 28 110 I 0.52216328553349 0.32139552554640 0.60253855695736 126.904 > 28 111 I 0.02216328553349 0.82139552554640 0.60253855695736 126.904 > 28 112 I 0.52216328553349 0.82139552554640 0.60253855695736 126.904 > 28 113 I 0.18756805561181 0.14037025445878 0.61380025552461 126.904 > 29 114 I 0.68756805561181 0.14037025445878 0.61380025552461 126.904 > 29 115 I 0.18756805561181 0.64037025445878 0.61380025552461 126.904 > 29 116 I 0.68756805561181 0.64037025445878 0.61380025552461 126.904 > 29 117 I 0.23832004840193 0.14391552200061 0.89254034477927 126.904 > 30 118 I 0.73832004840193 0.14391552200061 0.89254034477927 126.904 > 30 119 I 0.23832004840193 0.64391552200061 0.89254034477927 126.904 > 30 120 I 0.73832004840193 0.64391552200061 0.89254034477927 126.904 > 30 121 I 0.12471890412149 0.27098144487223 0.26085735687374 126.904 > 31 122 I 0.62471890412149 0.27098144487223 0.26085735687374 126.904 > 31 123 I 0.12471890412149 0.77098144487223 0.26085735687374 126.904 > 31 124 I 0.62471890412149 0.77098144487223 0.26085735687374 126.904 > 31 125 I 0.12471890412149 0.47901855512777 0.76085735687374 126.904 > 32 126 I 0.62471890412149 0.47901855512777 0.76085735687374 126.904 > 32 127 I 0.12471890412149 0.97901855512777 0.76085735687374 126.904 > 32 128 I 0.62471890412149 0.97901855512777 0.76085735687374 126.904 > 32 129 I 0.44304520234237 0.18728626620298 0.10636917419057 126.904 > 33 130 I 0.94304520234237 0.18728626620298 0.10636917419057 126.904 > 33 131 I 0.44304520234237 0.68728626620298 0.10636917419057 126.904 > 33 132 I 0.94304520234237 0.68728626620298 0.10636917419057 126.904 > 33 133 I 0.31243194438819 0.39037025445878 0.88619974447539 126.904 > 34 134 I 0.81243194438819 0.39037025445878 0.88619974447539 126.904 > 34 135 I 0.31243194438819 0.89037025445878 0.88619974447539 126.904 > 34 136 I 0.81243194438819 0.89037025445878 0.88619974447539 126.904 > 34 137 I 0.02216328553349 0.42860447445360 0.10253855695736 126.904 > 35 138 I 0.52216328553349 0.42860447445360 0.10253855695736 126.904 > 35 139 I 0.02216328553349 0.92860447445360 0.10253855695736 126.904 > 35 140 I 0.52216328553349 0.92860447445360 0.10253855695736 126.904 > 35 141 I 0.47783671446651 0.07139552554640 0.89746144304264 126.904 > 36 142 I 0.97783671446651 0.07139552554640 0.89746144304264 126.904 > 36 143 I 0.47783671446651 0.57139552554640 0.89746144304264 126.904 > 36 144 I 0.97783671446651 0.57139552554640 0.89746144304264 126.904 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.1071950 0.0000000 0.3146938 0.0000000 9.4871753 0.0000000 0.3146875 0.0000000 9.3158592 -------------------------- Born effective charges -------------------------- 1 In 2.8516332 0.1677717 -0.2763219 0.2737065 2.5696991 -0.1189915 -0.2500636 -0.5106632 2.3315154 2 In 2.8516332 -0.1677717 -0.2763219 -0.2737065 2.5696991 0.1189915 -0.2500636 0.5106632 2.3315154 3 In 2.4741576 -0.2775707 0.2688439 -0.1369038 2.6769379 0.0256122 0.1612463 -0.1753843 2.1920240 4 In 2.4741576 0.2775707 0.2688439 0.1369038 2.6769379 -0.0256122 0.1612463 0.1753843 2.1920240 5 In 2.8516332 -0.1677717 -0.2763219 -0.2737065 2.5696991 0.1189915 -0.2500636 0.5106632 2.3315154 6 In 2.3893353 -0.3027160 -0.0070110 -0.0107438 2.5841342 -0.2335080 0.0102782 -0.0200697 3.0159126 7 In 2.3893353 -0.3027160 -0.0070110 -0.0107438 2.5841342 -0.2335080 0.0102782 -0.0200697 3.0159126 8 In 2.4741576 0.2775707 0.2688439 0.1369038 2.6769379 -0.0256122 0.1612463 0.1753843 2.1920240 9 In 2.3893353 0.3027160 -0.0070110 0.0107438 2.5841342 0.2335080 0.0102782 0.0200697 3.0159126 10 In 2.4741576 -0.2775707 0.2688439 -0.1369038 2.6769379 0.0256122 0.1612463 -0.1753843 2.1920240 11 In 2.8516332 0.1677717 -0.2763219 0.2737065 2.5696991 -0.1189915 -0.2500636 -0.5106632 2.3315154 12 In 2.3893353 0.3027160 -0.0070110 0.0107438 2.5841342 0.2335080 0.0102782 0.0200697 3.0159126 13 Sn 3.6468679 -0.2250195 0.3824419 0.3639458 4.2770670 -0.4197533 0.4776696 -0.4644383 3.7663833 14 Sn 3.6468679 0.2250195 0.3824419 -0.3639458 4.2770670 0.4197533 0.4776696 0.4644383 3.7663833 15 Sn 3.6468679 -0.2250195 0.3824419 0.3639458 4.2770670 -0.4197533 0.4776696 -0.4644383 3.7663833 16 Sn 3.6468679 0.2250195 0.3824419 -0.3639458 4.2770670 0.4197533 0.4776696 0.4644383 3.7663833 17 I -2.1361092 -0.6435388 -0.3527226 -0.8836310 -2.0594857 0.2024529 -0.4644702 0.0798533 -2.9239155 18 I -2.1361092 0.6435388 -0.3527226 0.8836310 -2.0594857 -0.2024529 -0.4644702 -0.0798533 -2.9239155 19 I -2.1614946 0.0756658 -0.1533434 -0.0735209 -2.3242863 0.1905690 0.1846414 -0.0430235 -2.7678743 20 I -2.5456934 -0.5835450 0.4429747 -0.6021924 -2.4722495 -0.3291286 0.0534461 -0.3789539 -1.8598719 21 I -2.6221423 0.5147310 -0.1215489 0.5001151 -2.1924955 0.0573523 -0.1866247 -0.2937524 -1.7519947 22 I -1.8965545 -0.4959643 -0.1833127 -0.3696749 -3.0593210 0.6450305 0.0138767 0.3959706 -2.0021790 23 I -2.6221423 0.5147310 -0.1215489 0.5001151 -2.1924955 0.0573523 -0.1866247 -0.2937524 -1.7519947 24 I -2.6221423 -0.5147310 -0.1215489 -0.5001151 -2.1924955 -0.0573523 -0.1866247 0.2937524 -1.7519947 25 I -2.1614946 -0.0756658 -0.1533434 0.0735209 -2.3242863 -0.1905690 0.1846414 0.0430235 -2.7678743 26 I -1.8965545 0.4959643 -0.1833127 0.3696749 -3.0593210 -0.6450305 0.0138767 -0.3959706 -2.0021790 27 I -2.1361092 0.6435388 -0.3527226 0.8836310 -2.0594857 -0.2024529 -0.4644702 -0.0798533 -2.9239155 28 I -2.5456934 -0.5835450 0.4429747 -0.6021924 -2.4722495 -0.3291286 0.0534461 -0.3789539 -1.8598719 29 I -1.8965545 -0.4959643 -0.1833127 -0.3696749 -3.0593210 0.6450305 0.0138767 0.3959706 -2.0021790 30 I -2.6221423 -0.5147310 -0.1215489 -0.5001151 -2.1924955 -0.0573523 -0.1866247 0.2937524 -1.7519947 31 I -2.1614946 0.0756658 -0.1533434 -0.0735209 -2.3242863 0.1905690 0.1846414 -0.0430235 -2.7678743 32 I -2.1614946 -0.0756658 -0.1533434 0.0735209 -2.3242863 -0.1905690 0.1846414 0.0430235 -2.7678743 33 I -2.1361092 -0.6435388 -0.3527226 -0.8836310 -2.0594857 0.2024529 -0.4644702 0.0798533 -2.9239155 34 I -1.8965545 0.4959643 -0.1833127 0.3696749 -3.0593210 -0.6450305 0.0138767 -0.3959706 -2.0021790 35 I -2.5456934 0.5835450 0.4429747 0.6021924 -2.4722495 0.3291286 0.0534461 0.3789539 -1.8598719 36 I -2.5456934 0.5835450 0.4429747 0.6021924 -2.4722495 0.3291286 0.0534461 0.3789539 -1.8598719 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 282), data: True |-- (500, 482), data: False |-- (500, 15), data: (500, 33) @ (33, 15) |-- (250, 235), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 282), data: True |-- (500, 482), data: False |-- (500, 15), data: (500, 33) @ (33, 15) |-- (250, 235), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 1120 - Time: 2.033 Solver_block: 200 / 1120 - Time: 2.078 Solver_block: 300 / 1120 - Time: 1.875 Solver_block: 400 / 1120 - Time: 1.835 Solver_block: 500 / 1120 - Time: 1.878 Solver_block: 600 / 1120 - Time: 1.858 Solver_block: 700 / 1120 - Time: 1.854 Solver_block: 800 / 1120 - Time: 1.950 Solver_block: 900 / 1120 - Time: 1.946 Solver_block: 1000 / 1120 - Time: 1.805 Solver_block: 1100 / 1120 - Time: 1.791 Solver_block: 1120 / 1120 - Time: 0.549 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 22.527 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 282), data: True |-- (500, 482), data: False |-- (500, 15), data: (500, 33) @ (33, 15) |-- (250, 235), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 282), data: True |-- (500, 482), data: False |-- (500, 15), data: (500, 33) @ (33, 15) |-- (250, 235), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) 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 2026-01-08 18:03:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:03:29]------------------------- 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): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.625888572739841 0.000000000000000 0.000000000000000 b 0.000000000000000 8.715988110000000 0.000000000000000 c -2.574020251039648 0.000000000000000 17.005796768868763 Atomic positions (fractional): 1 In 0.12002816266998 0.17907646677302 0.25238208107325 114.818 2 In 0.12002816266998 0.32092353322698 0.75238208107325 114.818 3 In 0.61339004789381 0.40535794120060 0.25229875389511 114.818 4 In 0.38660995210619 0.90535794120060 0.24770124610489 114.818 5 In 0.87997183733002 0.67907646677302 0.24761791892675 114.818 6 In 0.71031039682444 0.45784341035912 0.53049134636654 114.818 7 In 0.28968960317556 0.54215658964088 0.46950865363346 114.818 8 In 0.61339004789381 0.09464205879940 0.75229875389511 114.818 9 In 0.28968960317556 0.95784341035912 0.96950865363346 114.818 10 In 0.38660995210619 0.59464205879940 0.74770124610489 114.818 11 In 0.87997183733002 0.82092353322698 0.74761791892675 114.818 12 In 0.71031039682444 0.04215658964088 0.03049134636654 114.818 13 Sn 0.79358902896327 0.46187023362787 0.91765107513526 118.710 14 Sn 0.20641097103673 0.96187023362788 0.58234892486474 118.710 15 Sn 0.20641097103673 0.53812976637212 0.08234892486474 118.710 16 Sn 0.79358902896327 0.03812976637212 0.41765107513526 118.710 17 I 0.11390959531526 0.62542746759404 0.89363082580943 126.904 18 I 0.11390959531526 0.87457253240596 0.39363082580943 126.904 19 I 0.75056219175701 0.45803711025555 0.73914264312626 126.904 20 I 0.95567342893303 0.35720894890721 0.39746144304264 126.904 21 I 0.52335990319615 0.78783104400123 0.60745965522073 126.904 22 I 0.62486388877638 0.71925949108243 0.38619974447539 126.904 23 I 0.47664009680385 0.21216895599877 0.39254034477927 126.904 24 I 0.52335990319615 0.71216895599877 0.10745965522073 126.904 25 I 0.75056219175701 0.04196288974445 0.23914264312626 126.904 26 I 0.37513611122362 0.21925949108243 0.11380025552461 126.904 27 I 0.88609040468474 0.12542746759404 0.60636917419057 126.904 28 I 0.04432657106697 0.64279105109279 0.60253855695736 126.904 29 I 0.37513611122362 0.28074050891757 0.61380025552461 126.904 30 I 0.47664009680385 0.28783104400123 0.89254034477927 126.904 31 I 0.24943780824299 0.54196288974445 0.26085735687374 126.904 32 I 0.24943780824299 0.95803711025555 0.76085735687374 126.904 33 I 0.88609040468474 0.37457253240596 0.10636917419057 126.904 34 I 0.62486388877638 0.78074050891757 0.88619974447539 126.904 35 I 0.04432657106697 0.85720894890721 0.10253855695736 126.904 36 I 0.95567342893303 0.14279105109279 0.89746144304264 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.251777145479682 0.000000000000000 0.000000000000000 b 0.000000000000000 17.431976219999999 0.000000000000000 c -2.574020251039648 0.000000000000000 17.005796768868763 Atomic positions (fractional): 1 In 0.06001408133499 0.08953823338651 0.25238208107325 114.818 > 1 2 In 0.56001408133499 0.08953823338651 0.25238208107325 114.818 > 1 3 In 0.06001408133499 0.58953823338651 0.25238208107325 114.818 > 1 4 In 0.56001408133499 0.58953823338651 0.25238208107325 114.818 > 1 5 In 0.06001408133499 0.16046176661349 0.75238208107325 114.818 > 5 6 In 0.56001408133499 0.16046176661349 0.75238208107325 114.818 > 5 7 In 0.06001408133499 0.66046176661349 0.75238208107325 114.818 > 5 8 In 0.56001408133499 0.66046176661349 0.75238208107325 114.818 > 5 9 In 0.30669502394691 0.20267897060030 0.25229875389511 114.818 > 9 10 In 0.80669502394691 0.20267897060030 0.25229875389511 114.818 > 9 11 In 0.30669502394691 0.70267897060030 0.25229875389511 114.818 > 9 12 In 0.80669502394691 0.70267897060030 0.25229875389511 114.818 > 9 13 In 0.19330497605309 0.45267897060030 0.24770124610489 114.818 > 13 14 In 0.69330497605309 0.45267897060030 0.24770124610489 114.818 > 13 15 In 0.19330497605309 0.95267897060030 0.24770124610489 114.818 > 13 16 In 0.69330497605309 0.95267897060030 0.24770124610489 114.818 > 13 17 In 0.43998591866501 0.33953823338651 0.24761791892675 114.818 > 17 18 In 0.93998591866501 0.33953823338651 0.24761791892675 114.818 > 17 19 In 0.43998591866501 0.83953823338651 0.24761791892675 114.818 > 17 20 In 0.93998591866501 0.83953823338651 0.24761791892675 114.818 > 17 21 In 0.35515519841222 0.22892170517956 0.53049134636654 114.818 > 21 22 In 0.85515519841222 0.22892170517956 0.53049134636654 114.818 > 21 23 In 0.35515519841222 0.72892170517956 0.53049134636654 114.818 > 21 24 In 0.85515519841222 0.72892170517956 0.53049134636654 114.818 > 21 25 In 0.14484480158778 0.27107829482044 0.46950865363346 114.818 > 25 26 In 0.64484480158778 0.27107829482044 0.46950865363346 114.818 > 25 27 In 0.14484480158778 0.77107829482044 0.46950865363346 114.818 > 25 28 In 0.64484480158778 0.77107829482044 0.46950865363346 114.818 > 25 29 In 0.30669502394691 0.04732102939970 0.75229875389511 114.818 > 29 30 In 0.80669502394691 0.04732102939970 0.75229875389511 114.818 > 29 31 In 0.30669502394691 0.54732102939970 0.75229875389511 114.818 > 29 32 In 0.80669502394691 0.54732102939970 0.75229875389511 114.818 > 29 33 In 0.14484480158778 0.47892170517956 0.96950865363346 114.818 > 33 34 In 0.64484480158778 0.47892170517956 0.96950865363346 114.818 > 33 35 In 0.14484480158778 0.97892170517956 0.96950865363346 114.818 > 33 36 In 0.64484480158778 0.97892170517956 0.96950865363346 114.818 > 33 37 In 0.19330497605309 0.29732102939970 0.74770124610489 114.818 > 37 38 In 0.69330497605309 0.29732102939970 0.74770124610489 114.818 > 37 39 In 0.19330497605309 0.79732102939970 0.74770124610489 114.818 > 37 40 In 0.69330497605309 0.79732102939970 0.74770124610489 114.818 > 37 41 In 0.43998591866501 0.41046176661349 0.74761791892675 114.818 > 41 42 In 0.93998591866501 0.41046176661349 0.74761791892675 114.818 > 41 43 In 0.43998591866501 0.91046176661349 0.74761791892675 114.818 > 41 44 In 0.93998591866501 0.91046176661349 0.74761791892675 114.818 > 41 45 In 0.35515519841222 0.02107829482044 0.03049134636654 114.818 > 45 46 In 0.85515519841222 0.02107829482044 0.03049134636654 114.818 > 45 47 In 0.35515519841222 0.52107829482044 0.03049134636654 114.818 > 45 48 In 0.85515519841222 0.52107829482044 0.03049134636654 114.818 > 45 49 Sn 0.39679451448163 0.23093511681394 0.91765107513526 118.710 > 49 50 Sn 0.89679451448163 0.23093511681394 0.91765107513526 118.710 > 49 51 Sn 0.39679451448163 0.73093511681394 0.91765107513526 118.710 > 49 52 Sn 0.89679451448163 0.73093511681394 0.91765107513526 118.710 > 49 53 Sn 0.10320548551837 0.48093511681394 0.58234892486474 118.710 > 53 54 Sn 0.60320548551837 0.48093511681394 0.58234892486474 118.710 > 53 55 Sn 0.10320548551837 0.98093511681394 0.58234892486474 118.710 > 53 56 Sn 0.60320548551837 0.98093511681394 0.58234892486474 118.710 > 53 57 Sn 0.10320548551837 0.26906488318606 0.08234892486474 118.710 > 57 58 Sn 0.60320548551837 0.26906488318606 0.08234892486474 118.710 > 57 59 Sn 0.10320548551837 0.76906488318606 0.08234892486474 118.710 > 57 60 Sn 0.60320548551837 0.76906488318606 0.08234892486474 118.710 > 57 61 Sn 0.39679451448163 0.01906488318606 0.41765107513526 118.710 > 61 62 Sn 0.89679451448163 0.01906488318606 0.41765107513526 118.710 > 61 63 Sn 0.39679451448163 0.51906488318606 0.41765107513526 118.710 > 61 64 Sn 0.89679451448163 0.51906488318606 0.41765107513526 118.710 > 61 65 I 0.05695479765763 0.31271373379702 0.89363082580943 126.904 > 65 66 I 0.55695479765763 0.31271373379702 0.89363082580943 126.904 > 65 67 I 0.05695479765763 0.81271373379702 0.89363082580943 126.904 > 65 68 I 0.55695479765763 0.81271373379702 0.89363082580943 126.904 > 65 69 I 0.05695479765763 0.43728626620298 0.39363082580943 126.904 > 69 70 I 0.55695479765763 0.43728626620298 0.39363082580943 126.904 > 69 71 I 0.05695479765763 0.93728626620298 0.39363082580943 126.904 > 69 72 I 0.55695479765763 0.93728626620298 0.39363082580943 126.904 > 69 73 I 0.37528109587851 0.22901855512777 0.73914264312626 126.904 > 73 74 I 0.87528109587851 0.22901855512777 0.73914264312626 126.904 > 73 75 I 0.37528109587851 0.72901855512777 0.73914264312626 126.904 > 73 76 I 0.87528109587851 0.72901855512777 0.73914264312626 126.904 > 73 77 I 0.47783671446651 0.17860447445360 0.39746144304264 126.904 > 77 78 I 0.97783671446651 0.17860447445360 0.39746144304264 126.904 > 77 79 I 0.47783671446651 0.67860447445360 0.39746144304264 126.904 > 77 80 I 0.97783671446651 0.67860447445360 0.39746144304264 126.904 > 77 81 I 0.26167995159807 0.39391552200061 0.60745965522073 126.904 > 81 82 I 0.76167995159807 0.39391552200061 0.60745965522073 126.904 > 81 83 I 0.26167995159807 0.89391552200061 0.60745965522073 126.904 > 81 84 I 0.76167995159807 0.89391552200061 0.60745965522073 126.904 > 81 85 I 0.31243194438819 0.35962974554122 0.38619974447539 126.904 > 85 86 I 0.81243194438819 0.35962974554122 0.38619974447539 126.904 > 85 87 I 0.31243194438819 0.85962974554122 0.38619974447539 126.904 > 85 88 I 0.81243194438819 0.85962974554122 0.38619974447539 126.904 > 85 89 I 0.23832004840193 0.10608447799939 0.39254034477927 126.904 > 89 90 I 0.73832004840193 0.10608447799939 0.39254034477927 126.904 > 89 91 I 0.23832004840193 0.60608447799939 0.39254034477927 126.904 > 89 92 I 0.73832004840193 0.60608447799939 0.39254034477927 126.904 > 89 93 I 0.26167995159807 0.35608447799939 0.10745965522073 126.904 > 93 94 I 0.76167995159807 0.35608447799939 0.10745965522073 126.904 > 93 95 I 0.26167995159807 0.85608447799939 0.10745965522073 126.904 > 93 96 I 0.76167995159807 0.85608447799939 0.10745965522073 126.904 > 93 97 I 0.37528109587851 0.02098144487223 0.23914264312626 126.904 > 97 98 I 0.87528109587851 0.02098144487223 0.23914264312626 126.904 > 97 99 I 0.37528109587851 0.52098144487223 0.23914264312626 126.904 > 97 100 I 0.87528109587851 0.52098144487223 0.23914264312626 126.904 > 97 101 I 0.18756805561181 0.10962974554122 0.11380025552461 126.904 > 101 102 I 0.68756805561181 0.10962974554122 0.11380025552461 126.904 > 101 103 I 0.18756805561181 0.60962974554122 0.11380025552461 126.904 > 101 104 I 0.68756805561181 0.60962974554122 0.11380025552461 126.904 > 101 105 I 0.44304520234237 0.06271373379702 0.60636917419057 126.904 > 105 106 I 0.94304520234237 0.06271373379702 0.60636917419057 126.904 > 105 107 I 0.44304520234237 0.56271373379702 0.60636917419057 126.904 > 105 108 I 0.94304520234237 0.56271373379702 0.60636917419057 126.904 > 105 109 I 0.02216328553349 0.32139552554640 0.60253855695736 126.904 > 109 110 I 0.52216328553349 0.32139552554640 0.60253855695736 126.904 > 109 111 I 0.02216328553349 0.82139552554640 0.60253855695736 126.904 > 109 112 I 0.52216328553349 0.82139552554640 0.60253855695736 126.904 > 109 113 I 0.18756805561181 0.14037025445878 0.61380025552461 126.904 > 113 114 I 0.68756805561181 0.14037025445878 0.61380025552461 126.904 > 113 115 I 0.18756805561181 0.64037025445878 0.61380025552461 126.904 > 113 116 I 0.68756805561181 0.64037025445878 0.61380025552461 126.904 > 113 117 I 0.23832004840193 0.14391552200061 0.89254034477927 126.904 > 117 118 I 0.73832004840193 0.14391552200061 0.89254034477927 126.904 > 117 119 I 0.23832004840193 0.64391552200061 0.89254034477927 126.904 > 117 120 I 0.73832004840193 0.64391552200061 0.89254034477927 126.904 > 117 121 I 0.12471890412149 0.27098144487223 0.26085735687374 126.904 > 121 122 I 0.62471890412149 0.27098144487223 0.26085735687374 126.904 > 121 123 I 0.12471890412149 0.77098144487223 0.26085735687374 126.904 > 121 124 I 0.62471890412149 0.77098144487223 0.26085735687374 126.904 > 121 125 I 0.12471890412149 0.47901855512777 0.76085735687374 126.904 > 125 126 I 0.62471890412149 0.47901855512777 0.76085735687374 126.904 > 125 127 I 0.12471890412149 0.97901855512777 0.76085735687374 126.904 > 125 128 I 0.62471890412149 0.97901855512777 0.76085735687374 126.904 > 125 129 I 0.44304520234237 0.18728626620298 0.10636917419057 126.904 > 129 130 I 0.94304520234237 0.18728626620298 0.10636917419057 126.904 > 129 131 I 0.44304520234237 0.68728626620298 0.10636917419057 126.904 > 129 132 I 0.94304520234237 0.68728626620298 0.10636917419057 126.904 > 129 133 I 0.31243194438819 0.39037025445878 0.88619974447539 126.904 > 133 134 I 0.81243194438819 0.39037025445878 0.88619974447539 126.904 > 133 135 I 0.31243194438819 0.89037025445878 0.88619974447539 126.904 > 133 136 I 0.81243194438819 0.89037025445878 0.88619974447539 126.904 > 133 137 I 0.02216328553349 0.42860447445360 0.10253855695736 126.904 > 137 138 I 0.52216328553349 0.42860447445360 0.10253855695736 126.904 > 137 139 I 0.02216328553349 0.92860447445360 0.10253855695736 126.904 > 137 140 I 0.52216328553349 0.92860447445360 0.10253855695736 126.904 > 137 141 I 0.47783671446651 0.07139552554640 0.89746144304264 126.904 > 141 142 I 0.97783671446651 0.07139552554640 0.89746144304264 126.904 > 141 143 I 0.47783671446651 0.57139552554640 0.89746144304264 126.904 > 141 144 I 0.97783671446651 0.57139552554640 0.89746144304264 126.904 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.1071950 0.0000000 0.3146938 0.0000000 9.4871753 0.0000000 0.3146875 0.0000000 9.3158592 -------------------------- Born effective charges -------------------------- 1 In 2.8516332 0.1677717 -0.2763219 0.2737065 2.5696991 -0.1189915 -0.2500636 -0.5106632 2.3315154 2 In 2.8516332 -0.1677717 -0.2763219 -0.2737065 2.5696991 0.1189915 -0.2500636 0.5106632 2.3315154 3 In 2.4741576 -0.2775707 0.2688439 -0.1369038 2.6769379 0.0256122 0.1612463 -0.1753843 2.1920240 4 In 2.4741576 0.2775707 0.2688439 0.1369038 2.6769379 -0.0256122 0.1612463 0.1753843 2.1920240 5 In 2.8516332 -0.1677717 -0.2763219 -0.2737065 2.5696991 0.1189915 -0.2500636 0.5106632 2.3315154 6 In 2.3893353 -0.3027160 -0.0070110 -0.0107438 2.5841342 -0.2335080 0.0102782 -0.0200697 3.0159126 7 In 2.3893353 -0.3027160 -0.0070110 -0.0107438 2.5841342 -0.2335080 0.0102782 -0.0200697 3.0159126 8 In 2.4741576 0.2775707 0.2688439 0.1369038 2.6769379 -0.0256122 0.1612463 0.1753843 2.1920240 9 In 2.3893353 0.3027160 -0.0070110 0.0107438 2.5841342 0.2335080 0.0102782 0.0200697 3.0159126 10 In 2.4741576 -0.2775707 0.2688439 -0.1369038 2.6769379 0.0256122 0.1612463 -0.1753843 2.1920240 11 In 2.8516332 0.1677717 -0.2763219 0.2737065 2.5696991 -0.1189915 -0.2500636 -0.5106632 2.3315154 12 In 2.3893353 0.3027160 -0.0070110 0.0107438 2.5841342 0.2335080 0.0102782 0.0200697 3.0159126 13 Sn 3.6468679 -0.2250195 0.3824419 0.3639458 4.2770670 -0.4197533 0.4776696 -0.4644383 3.7663833 14 Sn 3.6468679 0.2250195 0.3824419 -0.3639458 4.2770670 0.4197533 0.4776696 0.4644383 3.7663833 15 Sn 3.6468679 -0.2250195 0.3824419 0.3639458 4.2770670 -0.4197533 0.4776696 -0.4644383 3.7663833 16 Sn 3.6468679 0.2250195 0.3824419 -0.3639458 4.2770670 0.4197533 0.4776696 0.4644383 3.7663833 17 I -2.1361092 -0.6435388 -0.3527226 -0.8836310 -2.0594857 0.2024529 -0.4644702 0.0798533 -2.9239155 18 I -2.1361092 0.6435388 -0.3527226 0.8836310 -2.0594857 -0.2024529 -0.4644702 -0.0798533 -2.9239155 19 I -2.1614946 0.0756658 -0.1533434 -0.0735209 -2.3242863 0.1905690 0.1846414 -0.0430235 -2.7678743 20 I -2.5456934 -0.5835450 0.4429747 -0.6021924 -2.4722495 -0.3291286 0.0534461 -0.3789539 -1.8598719 21 I -2.6221423 0.5147310 -0.1215489 0.5001151 -2.1924955 0.0573523 -0.1866247 -0.2937524 -1.7519947 22 I -1.8965545 -0.4959643 -0.1833127 -0.3696749 -3.0593210 0.6450305 0.0138767 0.3959706 -2.0021790 23 I -2.6221423 0.5147310 -0.1215489 0.5001151 -2.1924955 0.0573523 -0.1866247 -0.2937524 -1.7519947 24 I -2.6221423 -0.5147310 -0.1215489 -0.5001151 -2.1924955 -0.0573523 -0.1866247 0.2937524 -1.7519947 25 I -2.1614946 -0.0756658 -0.1533434 0.0735209 -2.3242863 -0.1905690 0.1846414 0.0430235 -2.7678743 26 I -1.8965545 0.4959643 -0.1833127 0.3696749 -3.0593210 -0.6450305 0.0138767 -0.3959706 -2.0021790 27 I -2.1361092 0.6435388 -0.3527226 0.8836310 -2.0594857 -0.2024529 -0.4644702 -0.0798533 -2.9239155 28 I -2.5456934 -0.5835450 0.4429747 -0.6021924 -2.4722495 -0.3291286 0.0534461 -0.3789539 -1.8598719 29 I -1.8965545 -0.4959643 -0.1833127 -0.3696749 -3.0593210 0.6450305 0.0138767 0.3959706 -2.0021790 30 I -2.6221423 -0.5147310 -0.1215489 -0.5001151 -2.1924955 -0.0573523 -0.1866247 0.2937524 -1.7519947 31 I -2.1614946 0.0756658 -0.1533434 -0.0735209 -2.3242863 0.1905690 0.1846414 -0.0430235 -2.7678743 32 I -2.1614946 -0.0756658 -0.1533434 0.0735209 -2.3242863 -0.1905690 0.1846414 0.0430235 -2.7678743 33 I -2.1361092 -0.6435388 -0.3527226 -0.8836310 -2.0594857 0.2024529 -0.4644702 0.0798533 -2.9239155 34 I -1.8965545 0.4959643 -0.1833127 0.3696749 -3.0593210 -0.6450305 0.0138767 -0.3959706 -2.0021790 35 I -2.5456934 0.5835450 0.4429747 0.6021924 -2.4722495 0.3291286 0.0534461 0.3789539 -1.8598719 36 I -2.5456934 0.5835450 0.4429747 0.6021924 -2.4722495 0.3291286 0.0534461 0.3789539 -1.8598719 ---------------------------------------------------------------------------- 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 9, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 21, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 49, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 77, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 81, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 85, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] 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 2026-01-08 18:04:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:04:32]------------------------- 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): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.625888572739841 0.000000000000000 0.000000000000000 b 0.000000000000000 8.715988110000000 0.000000000000000 c -2.574020251039648 0.000000000000000 17.005796768868763 Atomic positions (fractional): 1 In 0.12002816266998 0.17907646677302 0.25238208107325 114.818 2 In 0.12002816266998 0.32092353322698 0.75238208107325 114.818 3 In 0.61339004789381 0.40535794120060 0.25229875389511 114.818 4 In 0.38660995210619 0.90535794120060 0.24770124610489 114.818 5 In 0.87997183733002 0.67907646677302 0.24761791892675 114.818 6 In 0.71031039682444 0.45784341035912 0.53049134636654 114.818 7 In 0.28968960317556 0.54215658964088 0.46950865363346 114.818 8 In 0.61339004789381 0.09464205879940 0.75229875389511 114.818 9 In 0.28968960317556 0.95784341035912 0.96950865363346 114.818 10 In 0.38660995210619 0.59464205879940 0.74770124610489 114.818 11 In 0.87997183733002 0.82092353322698 0.74761791892675 114.818 12 In 0.71031039682444 0.04215658964088 0.03049134636654 114.818 13 Sn 0.79358902896327 0.46187023362787 0.91765107513526 118.710 14 Sn 0.20641097103673 0.96187023362788 0.58234892486474 118.710 15 Sn 0.20641097103673 0.53812976637212 0.08234892486474 118.710 16 Sn 0.79358902896327 0.03812976637212 0.41765107513526 118.710 17 I 0.11390959531526 0.62542746759404 0.89363082580943 126.904 18 I 0.11390959531526 0.87457253240596 0.39363082580943 126.904 19 I 0.75056219175701 0.45803711025555 0.73914264312626 126.904 20 I 0.95567342893303 0.35720894890721 0.39746144304264 126.904 21 I 0.52335990319615 0.78783104400123 0.60745965522073 126.904 22 I 0.62486388877638 0.71925949108243 0.38619974447539 126.904 23 I 0.47664009680385 0.21216895599877 0.39254034477927 126.904 24 I 0.52335990319615 0.71216895599877 0.10745965522073 126.904 25 I 0.75056219175701 0.04196288974445 0.23914264312626 126.904 26 I 0.37513611122362 0.21925949108243 0.11380025552461 126.904 27 I 0.88609040468474 0.12542746759404 0.60636917419057 126.904 28 I 0.04432657106697 0.64279105109279 0.60253855695736 126.904 29 I 0.37513611122362 0.28074050891757 0.61380025552461 126.904 30 I 0.47664009680385 0.28783104400123 0.89254034477927 126.904 31 I 0.24943780824299 0.54196288974445 0.26085735687374 126.904 32 I 0.24943780824299 0.95803711025555 0.76085735687374 126.904 33 I 0.88609040468474 0.37457253240596 0.10636917419057 126.904 34 I 0.62486388877638 0.78074050891757 0.88619974447539 126.904 35 I 0.04432657106697 0.85720894890721 0.10253855695736 126.904 36 I 0.95567342893303 0.14279105109279 0.89746144304264 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.251777145479682 0.000000000000000 0.000000000000000 b 0.000000000000000 17.431976219999999 0.000000000000000 c -2.574020251039648 0.000000000000000 17.005796768868763 Atomic positions (fractional): 1 In 0.06001408133499 0.08953823338651 0.25238208107325 114.818 > 1 2 In 0.56001408133499 0.08953823338651 0.25238208107325 114.818 > 1 3 In 0.06001408133499 0.58953823338651 0.25238208107325 114.818 > 1 4 In 0.56001408133499 0.58953823338651 0.25238208107325 114.818 > 1 5 In 0.06001408133499 0.16046176661349 0.75238208107325 114.818 > 5 6 In 0.56001408133499 0.16046176661349 0.75238208107325 114.818 > 5 7 In 0.06001408133499 0.66046176661349 0.75238208107325 114.818 > 5 8 In 0.56001408133499 0.66046176661349 0.75238208107325 114.818 > 5 9 In 0.30669502394691 0.20267897060030 0.25229875389511 114.818 > 9 10 In 0.80669502394691 0.20267897060030 0.25229875389511 114.818 > 9 11 In 0.30669502394691 0.70267897060030 0.25229875389511 114.818 > 9 12 In 0.80669502394691 0.70267897060030 0.25229875389511 114.818 > 9 13 In 0.19330497605309 0.45267897060030 0.24770124610489 114.818 > 13 14 In 0.69330497605309 0.45267897060030 0.24770124610489 114.818 > 13 15 In 0.19330497605309 0.95267897060030 0.24770124610489 114.818 > 13 16 In 0.69330497605309 0.95267897060030 0.24770124610489 114.818 > 13 17 In 0.43998591866501 0.33953823338651 0.24761791892675 114.818 > 17 18 In 0.93998591866501 0.33953823338651 0.24761791892675 114.818 > 17 19 In 0.43998591866501 0.83953823338651 0.24761791892675 114.818 > 17 20 In 0.93998591866501 0.83953823338651 0.24761791892675 114.818 > 17 21 In 0.35515519841222 0.22892170517956 0.53049134636654 114.818 > 21 22 In 0.85515519841222 0.22892170517956 0.53049134636654 114.818 > 21 23 In 0.35515519841222 0.72892170517956 0.53049134636654 114.818 > 21 24 In 0.85515519841222 0.72892170517956 0.53049134636654 114.818 > 21 25 In 0.14484480158778 0.27107829482044 0.46950865363346 114.818 > 25 26 In 0.64484480158778 0.27107829482044 0.46950865363346 114.818 > 25 27 In 0.14484480158778 0.77107829482044 0.46950865363346 114.818 > 25 28 In 0.64484480158778 0.77107829482044 0.46950865363346 114.818 > 25 29 In 0.30669502394691 0.04732102939970 0.75229875389511 114.818 > 29 30 In 0.80669502394691 0.04732102939970 0.75229875389511 114.818 > 29 31 In 0.30669502394691 0.54732102939970 0.75229875389511 114.818 > 29 32 In 0.80669502394691 0.54732102939970 0.75229875389511 114.818 > 29 33 In 0.14484480158778 0.47892170517956 0.96950865363346 114.818 > 33 34 In 0.64484480158778 0.47892170517956 0.96950865363346 114.818 > 33 35 In 0.14484480158778 0.97892170517956 0.96950865363346 114.818 > 33 36 In 0.64484480158778 0.97892170517956 0.96950865363346 114.818 > 33 37 In 0.19330497605309 0.29732102939970 0.74770124610489 114.818 > 37 38 In 0.69330497605309 0.29732102939970 0.74770124610489 114.818 > 37 39 In 0.19330497605309 0.79732102939970 0.74770124610489 114.818 > 37 40 In 0.69330497605309 0.79732102939970 0.74770124610489 114.818 > 37 41 In 0.43998591866501 0.41046176661349 0.74761791892675 114.818 > 41 42 In 0.93998591866501 0.41046176661349 0.74761791892675 114.818 > 41 43 In 0.43998591866501 0.91046176661349 0.74761791892675 114.818 > 41 44 In 0.93998591866501 0.91046176661349 0.74761791892675 114.818 > 41 45 In 0.35515519841222 0.02107829482044 0.03049134636654 114.818 > 45 46 In 0.85515519841222 0.02107829482044 0.03049134636654 114.818 > 45 47 In 0.35515519841222 0.52107829482044 0.03049134636654 114.818 > 45 48 In 0.85515519841222 0.52107829482044 0.03049134636654 114.818 > 45 49 Sn 0.39679451448163 0.23093511681394 0.91765107513526 118.710 > 49 50 Sn 0.89679451448163 0.23093511681394 0.91765107513526 118.710 > 49 51 Sn 0.39679451448163 0.73093511681394 0.91765107513526 118.710 > 49 52 Sn 0.89679451448163 0.73093511681394 0.91765107513526 118.710 > 49 53 Sn 0.10320548551837 0.48093511681394 0.58234892486474 118.710 > 53 54 Sn 0.60320548551837 0.48093511681394 0.58234892486474 118.710 > 53 55 Sn 0.10320548551837 0.98093511681394 0.58234892486474 118.710 > 53 56 Sn 0.60320548551837 0.98093511681394 0.58234892486474 118.710 > 53 57 Sn 0.10320548551837 0.26906488318606 0.08234892486474 118.710 > 57 58 Sn 0.60320548551837 0.26906488318606 0.08234892486474 118.710 > 57 59 Sn 0.10320548551837 0.76906488318606 0.08234892486474 118.710 > 57 60 Sn 0.60320548551837 0.76906488318606 0.08234892486474 118.710 > 57 61 Sn 0.39679451448163 0.01906488318606 0.41765107513526 118.710 > 61 62 Sn 0.89679451448163 0.01906488318606 0.41765107513526 118.710 > 61 63 Sn 0.39679451448163 0.51906488318606 0.41765107513526 118.710 > 61 64 Sn 0.89679451448163 0.51906488318606 0.41765107513526 118.710 > 61 65 I 0.05695479765763 0.31271373379702 0.89363082580943 126.904 > 65 66 I 0.55695479765763 0.31271373379702 0.89363082580943 126.904 > 65 67 I 0.05695479765763 0.81271373379702 0.89363082580943 126.904 > 65 68 I 0.55695479765763 0.81271373379702 0.89363082580943 126.904 > 65 69 I 0.05695479765763 0.43728626620298 0.39363082580943 126.904 > 69 70 I 0.55695479765763 0.43728626620298 0.39363082580943 126.904 > 69 71 I 0.05695479765763 0.93728626620298 0.39363082580943 126.904 > 69 72 I 0.55695479765763 0.93728626620298 0.39363082580943 126.904 > 69 73 I 0.37528109587851 0.22901855512777 0.73914264312626 126.904 > 73 74 I 0.87528109587851 0.22901855512777 0.73914264312626 126.904 > 73 75 I 0.37528109587851 0.72901855512777 0.73914264312626 126.904 > 73 76 I 0.87528109587851 0.72901855512777 0.73914264312626 126.904 > 73 77 I 0.47783671446651 0.17860447445360 0.39746144304264 126.904 > 77 78 I 0.97783671446651 0.17860447445360 0.39746144304264 126.904 > 77 79 I 0.47783671446651 0.67860447445360 0.39746144304264 126.904 > 77 80 I 0.97783671446651 0.67860447445360 0.39746144304264 126.904 > 77 81 I 0.26167995159807 0.39391552200061 0.60745965522073 126.904 > 81 82 I 0.76167995159807 0.39391552200061 0.60745965522073 126.904 > 81 83 I 0.26167995159807 0.89391552200061 0.60745965522073 126.904 > 81 84 I 0.76167995159807 0.89391552200061 0.60745965522073 126.904 > 81 85 I 0.31243194438819 0.35962974554122 0.38619974447539 126.904 > 85 86 I 0.81243194438819 0.35962974554122 0.38619974447539 126.904 > 85 87 I 0.31243194438819 0.85962974554122 0.38619974447539 126.904 > 85 88 I 0.81243194438819 0.85962974554122 0.38619974447539 126.904 > 85 89 I 0.23832004840193 0.10608447799939 0.39254034477927 126.904 > 89 90 I 0.73832004840193 0.10608447799939 0.39254034477927 126.904 > 89 91 I 0.23832004840193 0.60608447799939 0.39254034477927 126.904 > 89 92 I 0.73832004840193 0.60608447799939 0.39254034477927 126.904 > 89 93 I 0.26167995159807 0.35608447799939 0.10745965522073 126.904 > 93 94 I 0.76167995159807 0.35608447799939 0.10745965522073 126.904 > 93 95 I 0.26167995159807 0.85608447799939 0.10745965522073 126.904 > 93 96 I 0.76167995159807 0.85608447799939 0.10745965522073 126.904 > 93 97 I 0.37528109587851 0.02098144487223 0.23914264312626 126.904 > 97 98 I 0.87528109587851 0.02098144487223 0.23914264312626 126.904 > 97 99 I 0.37528109587851 0.52098144487223 0.23914264312626 126.904 > 97 100 I 0.87528109587851 0.52098144487223 0.23914264312626 126.904 > 97 101 I 0.18756805561181 0.10962974554122 0.11380025552461 126.904 > 101 102 I 0.68756805561181 0.10962974554122 0.11380025552461 126.904 > 101 103 I 0.18756805561181 0.60962974554122 0.11380025552461 126.904 > 101 104 I 0.68756805561181 0.60962974554122 0.11380025552461 126.904 > 101 105 I 0.44304520234237 0.06271373379702 0.60636917419057 126.904 > 105 106 I 0.94304520234237 0.06271373379702 0.60636917419057 126.904 > 105 107 I 0.44304520234237 0.56271373379702 0.60636917419057 126.904 > 105 108 I 0.94304520234237 0.56271373379702 0.60636917419057 126.904 > 105 109 I 0.02216328553349 0.32139552554640 0.60253855695736 126.904 > 109 110 I 0.52216328553349 0.32139552554640 0.60253855695736 126.904 > 109 111 I 0.02216328553349 0.82139552554640 0.60253855695736 126.904 > 109 112 I 0.52216328553349 0.82139552554640 0.60253855695736 126.904 > 109 113 I 0.18756805561181 0.14037025445878 0.61380025552461 126.904 > 113 114 I 0.68756805561181 0.14037025445878 0.61380025552461 126.904 > 113 115 I 0.18756805561181 0.64037025445878 0.61380025552461 126.904 > 113 116 I 0.68756805561181 0.64037025445878 0.61380025552461 126.904 > 113 117 I 0.23832004840193 0.14391552200061 0.89254034477927 126.904 > 117 118 I 0.73832004840193 0.14391552200061 0.89254034477927 126.904 > 117 119 I 0.23832004840193 0.64391552200061 0.89254034477927 126.904 > 117 120 I 0.73832004840193 0.64391552200061 0.89254034477927 126.904 > 117 121 I 0.12471890412149 0.27098144487223 0.26085735687374 126.904 > 121 122 I 0.62471890412149 0.27098144487223 0.26085735687374 126.904 > 121 123 I 0.12471890412149 0.77098144487223 0.26085735687374 126.904 > 121 124 I 0.62471890412149 0.77098144487223 0.26085735687374 126.904 > 121 125 I 0.12471890412149 0.47901855512777 0.76085735687374 126.904 > 125 126 I 0.62471890412149 0.47901855512777 0.76085735687374 126.904 > 125 127 I 0.12471890412149 0.97901855512777 0.76085735687374 126.904 > 125 128 I 0.62471890412149 0.97901855512777 0.76085735687374 126.904 > 125 129 I 0.44304520234237 0.18728626620298 0.10636917419057 126.904 > 129 130 I 0.94304520234237 0.18728626620298 0.10636917419057 126.904 > 129 131 I 0.44304520234237 0.68728626620298 0.10636917419057 126.904 > 129 132 I 0.94304520234237 0.68728626620298 0.10636917419057 126.904 > 129 133 I 0.31243194438819 0.39037025445878 0.88619974447539 126.904 > 133 134 I 0.81243194438819 0.39037025445878 0.88619974447539 126.904 > 133 135 I 0.31243194438819 0.89037025445878 0.88619974447539 126.904 > 133 136 I 0.81243194438819 0.89037025445878 0.88619974447539 126.904 > 133 137 I 0.02216328553349 0.42860447445360 0.10253855695736 126.904 > 137 138 I 0.52216328553349 0.42860447445360 0.10253855695736 126.904 > 137 139 I 0.02216328553349 0.92860447445360 0.10253855695736 126.904 > 137 140 I 0.52216328553349 0.92860447445360 0.10253855695736 126.904 > 137 141 I 0.47783671446651 0.07139552554640 0.89746144304264 126.904 > 141 142 I 0.97783671446651 0.07139552554640 0.89746144304264 126.904 > 141 143 I 0.47783671446651 0.57139552554640 0.89746144304264 126.904 > 141 144 I 0.97783671446651 0.57139552554640 0.89746144304264 126.904 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.1071950 0.0000000 0.3146938 0.0000000 9.4871753 0.0000000 0.3146875 0.0000000 9.3158592 -------------------------- Born effective charges -------------------------- 1 In 2.8516332 0.1677717 -0.2763219 0.2737065 2.5696991 -0.1189915 -0.2500636 -0.5106632 2.3315154 2 In 2.8516332 -0.1677717 -0.2763219 -0.2737065 2.5696991 0.1189915 -0.2500636 0.5106632 2.3315154 3 In 2.4741576 -0.2775707 0.2688439 -0.1369038 2.6769379 0.0256122 0.1612463 -0.1753843 2.1920240 4 In 2.4741576 0.2775707 0.2688439 0.1369038 2.6769379 -0.0256122 0.1612463 0.1753843 2.1920240 5 In 2.8516332 -0.1677717 -0.2763219 -0.2737065 2.5696991 0.1189915 -0.2500636 0.5106632 2.3315154 6 In 2.3893353 -0.3027160 -0.0070110 -0.0107438 2.5841342 -0.2335080 0.0102782 -0.0200697 3.0159126 7 In 2.3893353 -0.3027160 -0.0070110 -0.0107438 2.5841342 -0.2335080 0.0102782 -0.0200697 3.0159126 8 In 2.4741576 0.2775707 0.2688439 0.1369038 2.6769379 -0.0256122 0.1612463 0.1753843 2.1920240 9 In 2.3893353 0.3027160 -0.0070110 0.0107438 2.5841342 0.2335080 0.0102782 0.0200697 3.0159126 10 In 2.4741576 -0.2775707 0.2688439 -0.1369038 2.6769379 0.0256122 0.1612463 -0.1753843 2.1920240 11 In 2.8516332 0.1677717 -0.2763219 0.2737065 2.5696991 -0.1189915 -0.2500636 -0.5106632 2.3315154 12 In 2.3893353 0.3027160 -0.0070110 0.0107438 2.5841342 0.2335080 0.0102782 0.0200697 3.0159126 13 Sn 3.6468679 -0.2250195 0.3824419 0.3639458 4.2770670 -0.4197533 0.4776696 -0.4644383 3.7663833 14 Sn 3.6468679 0.2250195 0.3824419 -0.3639458 4.2770670 0.4197533 0.4776696 0.4644383 3.7663833 15 Sn 3.6468679 -0.2250195 0.3824419 0.3639458 4.2770670 -0.4197533 0.4776696 -0.4644383 3.7663833 16 Sn 3.6468679 0.2250195 0.3824419 -0.3639458 4.2770670 0.4197533 0.4776696 0.4644383 3.7663833 17 I -2.1361092 -0.6435388 -0.3527226 -0.8836310 -2.0594857 0.2024529 -0.4644702 0.0798533 -2.9239155 18 I -2.1361092 0.6435388 -0.3527226 0.8836310 -2.0594857 -0.2024529 -0.4644702 -0.0798533 -2.9239155 19 I -2.1614946 0.0756658 -0.1533434 -0.0735209 -2.3242863 0.1905690 0.1846414 -0.0430235 -2.7678743 20 I -2.5456934 -0.5835450 0.4429747 -0.6021924 -2.4722495 -0.3291286 0.0534461 -0.3789539 -1.8598719 21 I -2.6221423 0.5147310 -0.1215489 0.5001151 -2.1924955 0.0573523 -0.1866247 -0.2937524 -1.7519947 22 I -1.8965545 -0.4959643 -0.1833127 -0.3696749 -3.0593210 0.6450305 0.0138767 0.3959706 -2.0021790 23 I -2.6221423 0.5147310 -0.1215489 0.5001151 -2.1924955 0.0573523 -0.1866247 -0.2937524 -1.7519947 24 I -2.6221423 -0.5147310 -0.1215489 -0.5001151 -2.1924955 -0.0573523 -0.1866247 0.2937524 -1.7519947 25 I -2.1614946 -0.0756658 -0.1533434 0.0735209 -2.3242863 -0.1905690 0.1846414 0.0430235 -2.7678743 26 I -1.8965545 0.4959643 -0.1833127 0.3696749 -3.0593210 -0.6450305 0.0138767 -0.3959706 -2.0021790 27 I -2.1361092 0.6435388 -0.3527226 0.8836310 -2.0594857 -0.2024529 -0.4644702 -0.0798533 -2.9239155 28 I -2.5456934 -0.5835450 0.4429747 -0.6021924 -2.4722495 -0.3291286 0.0534461 -0.3789539 -1.8598719 29 I -1.8965545 -0.4959643 -0.1833127 -0.3696749 -3.0593210 0.6450305 0.0138767 0.3959706 -2.0021790 30 I -2.6221423 -0.5147310 -0.1215489 -0.5001151 -2.1924955 -0.0573523 -0.1866247 0.2937524 -1.7519947 31 I -2.1614946 0.0756658 -0.1533434 -0.0735209 -2.3242863 0.1905690 0.1846414 -0.0430235 -2.7678743 32 I -2.1614946 -0.0756658 -0.1533434 0.0735209 -2.3242863 -0.1905690 0.1846414 0.0430235 -2.7678743 33 I -2.1361092 -0.6435388 -0.3527226 -0.8836310 -2.0594857 0.2024529 -0.4644702 0.0798533 -2.9239155 34 I -1.8965545 0.4959643 -0.1833127 0.3696749 -3.0593210 -0.6450305 0.0138767 -0.3959706 -2.0021790 35 I -2.5456934 0.5835450 0.4429747 0.6021924 -2.4722495 0.3291286 0.0534461 0.3789539 -1.8598719 36 I -2.5456934 0.5835450 0.4429747 0.6021924 -2.4722495 0.3291286 0.0534461 0.3789539 -1.8598719 ---------------------------------------------------------------------------- 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 (xx) -0.00000000 (xx) --------------------------- 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 6 3 ] 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: 0.38, Number of G-points: 305, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/40) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 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 0.459 ( 0.000 0.000 0.000) 0.000 0.532 ( 0.000 0.000 0.000) 0.000 0.781 ( 0.000 0.000 0.000) 0.000 0.823 ( 0.000 0.000 0.000) 0.000 0.849 ( 0.000 0.000 0.000) 0.000 0.850 ( 0.000 0.000 0.000) 0.000 0.874 ( 0.000 0.000 0.000) 0.000 0.878 ( 0.000 0.000 0.000) 0.000 0.995 ( 0.000 0.000 0.000) 0.000 1.001 ( 0.000 0.000 0.000) 0.000 1.027 ( 0.000 0.000 0.000) 0.000 1.038 ( 0.000 0.000 0.000) 0.000 1.045 ( 0.000 0.000 0.000) 0.000 1.052 ( 0.000 0.000 0.000) 0.000 1.053 ( 0.000 0.000 0.000) 0.000 1.072 ( 0.000 0.000 0.000) 0.000 1.078 ( 0.000 0.000 0.000) 0.000 1.116 ( 0.000 0.000 0.000) 0.000 1.136 ( 0.000 0.000 0.000) 0.000 1.142 ( 0.000 0.000 0.000) 0.000 1.150 ( 0.000 0.000 0.000) 0.000 1.174 ( 0.000 0.000 0.000) 0.000 1.223 ( 0.000 0.000 0.000) 0.000 1.236 ( 0.000 0.000 0.000) 0.000 1.273 ( 0.000 0.000 0.000) 0.000 1.277 ( 0.000 0.000 0.000) 0.000 1.281 ( 0.000 0.000 0.000) 0.000 1.283 ( 0.000 0.000 0.000) 0.000 1.341 ( 0.000 0.000 0.000) 0.000 1.358 ( 0.000 0.000 0.000) 0.000 1.371 ( 0.000 0.000 0.000) 0.000 1.378 ( 0.000 0.000 0.000) 0.000 1.401 ( 0.000 0.000 0.000) 0.000 1.416 ( 0.000 0.000 0.000) 0.000 1.424 ( 0.000 0.000 0.000) 0.000 1.433 ( 0.000 0.000 0.000) 0.000 1.434 ( 0.000 0.000 0.000) 0.000 1.435 ( 0.000 0.000 0.000) 0.000 1.452 ( 0.000 0.000 0.000) 0.000 1.457 ( 0.000 0.000 0.000) 0.000 1.501 ( 0.000 0.000 0.000) 0.000 1.526 ( 0.000 0.000 0.000) 0.000 1.526 ( 0.000 0.000 0.000) 0.000 1.530 ( 0.000 0.000 0.000) 0.000 1.539 ( 0.000 0.000 0.000) 0.000 1.559 ( 0.000 0.000 0.000) 0.000 1.568 ( 0.000 0.000 0.000) 0.000 1.589 ( 0.000 0.000 0.000) 0.000 1.598 ( 0.000 0.000 0.000) 0.000 1.603 ( 0.000 0.000 0.000) 0.000 1.657 ( 0.000 0.000 0.000) 0.000 1.658 ( 0.000 0.000 0.000) 0.000 1.682 ( 0.000 0.000 0.000) 0.000 1.719 ( 0.000 0.000 0.000) 0.000 1.721 ( 0.000 0.000 0.000) 0.000 1.721 ( 0.000 0.000 0.000) 0.000 1.725 ( 0.000 0.000 0.000) 0.000 1.770 ( 0.000 0.000 0.000) 0.000 1.818 ( 0.000 0.000 0.000) 0.000 1.867 ( 0.000 0.000 0.000) 0.000 1.880 ( 0.000 0.000 0.000) 0.000 1.887 ( 0.000 0.000 0.000) 0.000 1.952 ( 0.000 0.000 0.000) 0.000 1.979 ( 0.000 0.000 0.000) 0.000 1.995 ( 0.000 0.000 0.000) 0.000 2.068 ( 0.000 0.000 0.000) 0.000 2.092 ( 0.000 0.000 0.000) 0.000 2.123 ( 0.000 0.000 0.000) 0.000 2.166 ( 0.000 0.000 0.000) 0.000 2.187 ( 0.000 0.000 0.000) 0.000 2.286 ( 0.000 0.000 0.000) 0.000 2.287 ( 0.000 0.000 0.000) 0.000 2.292 ( 0.000 0.000 0.000) 0.000 2.338 ( 0.000 0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 2.369 ( 0.000 0.000 0.000) 0.000 2.387 ( 0.000 0.000 0.000) 0.000 2.388 ( 0.000 0.000 0.000) 0.000 2.411 ( 0.000 0.000 0.000) 0.000 2.413 ( 0.000 0.000 0.000) 0.000 2.436 ( 0.000 0.000 0.000) 0.000 2.452 ( 0.000 0.000 0.000) 0.000 2.453 ( 0.000 0.000 0.000) 0.000 2.475 ( 0.000 0.000 0.000) 0.000 2.476 ( 0.000 0.000 0.000) 0.000 2.487 ( 0.000 0.000 0.000) 0.000 2.550 ( 0.000 0.000 0.000) 0.000 2.563 ( 0.000 0.000 0.000) 0.000 2.600 ( 0.000 0.000 0.000) 0.000 2.676 ( 0.000 0.000 0.000) 0.000 2.733 ( 0.000 0.000 0.000) 0.000 2.752 ( 0.000 0.000 0.000) 0.000 2.757 ( 0.000 0.000 0.000) 0.000 2.772 ( 0.000 0.000 0.000) 0.000 2.804 ( 0.000 0.000 0.000) 0.000 2.829 ( 0.000 0.000 0.000) 0.000 2.848 ( 0.000 0.000 0.000) 0.000 2.924 ( 0.000 0.000 0.000) 0.000 3.061 ( 0.000 0.000 0.000) 0.000 3.070 ( 0.000 0.000 0.000) 0.000 3.079 ( 0.000 0.000 0.000) 0.000 3.409 ( 0.000 0.000 0.000) 0.000 3.527 ( 0.000 0.000 0.000) 0.000 3.590 ( 0.000 0.000 0.000) 0.000 3.611 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/40) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.210 ( 10.705 0.000 1.290) 10.782 0.281 ( 13.558 0.000 3.212) 13.933 0.394 ( 18.515 0.000 3.974) 18.937 0.541 ( 7.451 0.000 -4.556) 8.734 0.582 ( 5.371 0.000 -3.042) 6.173 0.777 ( -0.048 0.000 1.893) 1.893 0.826 ( 0.204 0.000 0.840) 0.864 0.839 ( -0.527 0.000 -0.152) 0.548 0.858 ( 0.522 0.000 -1.112) 1.229 0.895 ( 0.961 0.000 0.554) 1.109 0.930 ( 2.778 0.000 -1.722) 3.268 0.969 ( -2.795 0.000 1.195) 3.040 0.989 ( -0.889 0.000 -0.766) 1.174 1.011 ( -1.812 0.000 1.505) 2.355 1.038 ( -2.514 0.000 -0.464) 2.556 1.042 ( -0.451 0.000 -0.571) 0.728 1.042 ( 0.150 0.000 0.962) 0.973 1.043 ( -1.810 0.000 1.158) 2.149 1.062 ( -1.517 0.000 -1.263) 1.973 1.084 ( -0.014 0.000 -0.115) 0.116 1.095 ( -0.820 0.000 0.730) 1.098 1.154 ( 1.278 0.000 0.865) 1.543 1.164 ( 0.857 0.000 2.301) 2.455 1.172 ( 0.996 0.000 0.809) 1.283 1.192 ( 0.402 0.000 0.468) 0.617 1.215 ( -1.368 0.000 -2.969) 3.269 1.240 ( 0.555 0.000 3.134) 3.183 1.257 ( -1.493 0.000 -1.369) 2.026 1.257 ( 0.504 0.000 -4.700) 4.727 1.274 ( 0.814 0.000 0.276) 0.859 1.315 ( 2.155 0.000 0.139) 2.160 1.329 ( -1.301 0.000 -0.421) 1.367 1.366 ( 0.482 0.000 0.279) 0.557 1.377 ( -0.225 0.000 -1.086) 1.109 1.391 ( -2.136 0.000 -2.114) 3.005 1.406 ( 1.737 0.000 -0.624) 1.845 1.407 ( -1.846 0.000 -0.244) 1.862 1.409 ( -0.346 0.000 0.190) 0.394 1.429 ( 0.563 0.000 0.209) 0.601 1.445 ( 0.285 0.000 -0.616) 0.679 1.462 ( 2.953 0.000 0.437) 2.985 1.491 ( 1.369 0.000 0.846) 1.609 1.507 ( -1.360 0.000 -0.596) 1.485 1.516 ( 0.007 0.000 0.316) 0.317 1.522 ( 3.327 0.000 -2.461) 4.139 1.534 ( 0.103 0.000 -0.639) 0.647 1.554 ( 1.167 0.000 1.692) 2.055 1.569 ( 1.265 0.000 -2.129) 2.476 1.571 ( 2.247 0.000 2.630) 3.459 1.586 ( -0.843 0.000 0.855) 1.201 1.607 ( 1.120 0.000 0.131) 1.127 1.620 ( 1.698 0.000 -0.353) 1.734 1.661 ( -0.798 0.000 -2.265) 2.401 1.662 ( 0.263 0.000 1.558) 1.580 1.683 ( 1.644 0.000 -0.747) 1.805 1.692 ( 0.134 0.000 -2.299) 2.303 1.727 ( 0.224 0.000 0.351) 0.417 1.728 ( 2.269 0.000 1.800) 2.896 1.745 ( -0.764 0.000 0.132) 0.775 1.753 ( 1.522 0.000 0.543) 1.616 1.798 ( -0.338 0.000 -1.486) 1.524 1.845 ( -1.823 0.000 3.157) 3.645 1.883 ( -0.396 0.000 -2.489) 2.521 1.899 ( -1.352 0.000 -4.271) 4.480 1.913 ( 1.246 0.000 1.365) 1.848 1.959 ( -1.946 0.000 1.631) 2.539 1.962 ( 0.118 0.000 -0.734) 0.744 2.004 ( -1.990 0.000 4.748) 5.149 2.071 ( 0.075 0.000 0.420) 0.427 2.073 ( -3.007 0.000 -3.417) 4.552 2.103 ( -0.289 0.000 2.599) 2.615 2.132 ( -2.901 0.000 -1.096) 3.101 2.222 ( -2.099 0.000 6.749) 7.068 2.252 ( -2.014 0.000 0.229) 2.027 2.261 ( -2.585 0.000 -0.926) 2.746 2.292 ( -3.814 0.000 0.681) 3.875 2.300 ( -3.232 0.000 -0.683) 3.304 2.321 ( -2.704 0.000 -0.100) 2.706 2.335 ( -4.190 0.000 -0.889) 4.283 2.342 ( -2.768 0.000 0.063) 2.769 2.378 ( -0.010 0.000 -0.907) 0.907 2.385 ( -2.869 0.000 1.391) 3.188 2.390 ( -2.268 0.000 -0.802) 2.405 2.471 ( 1.791 0.000 -0.607) 1.891 2.471 ( 1.546 0.000 1.077) 1.884 2.478 ( 0.441 0.000 -1.953) 2.003 2.484 ( 1.121 0.000 -0.124) 1.128 2.501 ( -4.521 0.000 -0.422) 4.541 2.565 ( 0.505 0.000 -0.365) 0.623 2.575 ( 1.361 0.000 1.013) 1.696 2.604 ( 3.526 0.000 0.894) 3.638 2.618 ( 1.680 0.000 1.164) 2.044 2.674 ( -1.755 0.000 -0.323) 1.785 2.674 ( -3.182 0.000 -1.513) 3.524 2.723 ( -0.616 0.000 1.939) 2.035 2.783 ( -0.005 0.000 -0.065) 0.066 2.825 ( -0.830 0.000 -1.065) 1.351 2.861 ( 2.576 0.000 1.196) 2.840 2.862 ( 2.595 0.000 -1.365) 2.932 2.972 ( 0.624 0.000 -0.064) 0.627 3.011 ( -2.110 0.000 -3.639) 4.206 3.033 ( 5.473 0.000 4.862) 7.320 3.102 ( 0.667 0.000 -0.390) 0.772 3.411 ( 0.316 0.000 1.249) 1.288 3.522 ( 0.091 0.000 -4.773) 4.774 3.579 ( -1.784 0.000 0.748) 1.934 3.621 ( 2.709 0.000 2.030) 3.385 3.646 ( 2.575 0.000 1.817) 3.151 ======================= Grid point 2 (3/40) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( 10.035 0.000 1.030) 10.087 0.530 ( 10.863 0.000 2.213) 11.086 0.645 ( 4.188 0.000 -6.083) 7.385 0.660 ( 6.581 0.000 1.614) 6.776 0.701 ( 3.733 0.000 -2.864) 4.705 0.792 ( 0.196 0.000 0.196) 0.277 0.848 ( 0.909 0.000 1.794) 2.012 0.864 ( 0.257 0.000 -0.076) 0.268 0.870 ( 5.440 0.000 0.390) 5.454 0.895 ( 0.405 0.000 2.419) 2.453 0.925 ( -3.961 0.000 -0.250) 3.969 0.927 ( -1.281 0.000 2.497) 2.806 0.983 ( 0.538 0.000 -1.404) 1.504 0.985 ( -0.620 0.000 0.981) 1.161 1.004 ( -0.436 0.000 0.517) 0.676 1.027 ( -0.567 0.000 0.660) 0.870 1.033 ( 1.846 0.000 -1.580) 2.430 1.039 ( 0.264 0.000 0.221) 0.344 1.058 ( 0.498 0.000 1.246) 1.342 1.075 ( -1.482 0.000 -0.028) 1.482 1.088 ( 0.227 0.000 0.489) 0.540 1.149 ( -1.604 0.000 -1.612) 2.274 1.163 ( -1.377 0.000 0.883) 1.636 1.178 ( 0.269 0.000 -0.723) 0.772 1.201 ( -0.428 0.000 1.025) 1.111 1.212 ( 2.441 0.000 2.868) 3.766 1.216 ( -0.388 0.000 -0.992) 1.065 1.232 ( -1.497 0.000 1.115) 1.867 1.291 ( 1.761 0.000 -4.902) 5.209 1.308 ( 2.007 0.000 -1.015) 2.249 1.333 ( -1.298 0.000 -2.617) 2.921 1.334 ( 0.595 0.000 1.706) 1.807 1.357 ( 0.177 0.000 -1.158) 1.171 1.363 ( -0.142 0.000 -1.554) 1.560 1.371 ( -1.001 0.000 1.433) 1.748 1.378 ( -2.116 0.000 -1.386) 2.529 1.387 ( -0.493 0.000 1.187) 1.286 1.403 ( -0.531 0.000 -1.275) 1.381 1.435 ( -2.002 0.000 -0.967) 2.224 1.447 ( -1.004 0.000 1.210) 1.572 1.471 ( -1.978 0.000 1.022) 2.227 1.506 ( 0.999 0.000 0.829) 1.298 1.511 ( 1.467 0.000 -0.077) 1.469 1.534 ( 2.204 0.000 0.067) 2.205 1.542 ( 0.651 0.000 -0.023) 0.652 1.572 ( 1.263 0.000 -0.168) 1.274 1.578 ( 1.070 0.000 -1.705) 2.013 1.588 ( 2.319 0.000 -0.713) 2.427 1.611 ( -0.264 0.000 -1.146) 1.176 1.614 ( -0.306 0.000 1.585) 1.614 1.627 ( 1.184 0.000 1.424) 1.852 1.633 ( 2.279 0.000 -1.206) 2.578 1.641 ( 0.618 0.000 1.681) 1.791 1.668 ( 0.596 0.000 2.040) 2.126 1.684 ( -0.625 0.000 -0.741) 0.969 1.711 ( 1.423 0.000 -1.357) 1.966 1.715 ( -0.663 0.000 -2.268) 2.363 1.728 ( -2.330 0.000 2.369) 3.323 1.764 ( -0.009 0.000 -0.843) 0.843 1.806 ( 1.783 0.000 0.706) 1.918 1.819 ( -1.162 0.000 2.335) 2.608 1.841 ( 5.837 0.000 1.547) 6.039 1.851 ( -1.478 0.000 0.433) 1.540 1.882 ( 0.207 0.000 -4.488) 4.493 1.931 ( 1.300 0.000 -0.989) 1.633 1.939 ( -0.139 0.000 2.636) 2.640 1.951 ( -0.789 0.000 -2.486) 2.608 1.978 ( -2.531 0.000 1.449) 2.917 2.003 ( -1.467 0.000 -0.454) 1.536 2.054 ( -2.239 0.000 -0.010) 2.239 2.092 ( -0.199 0.000 0.198) 0.280 2.105 ( -1.065 0.000 1.608) 1.929 2.172 ( -6.062 0.000 -2.802) 6.678 2.183 ( -1.421 0.000 0.863) 1.662 2.218 ( -2.066 0.000 1.956) 2.845 2.225 ( -4.390 0.000 -0.559) 4.425 2.247 ( -4.392 0.000 0.193) 4.396 2.249 ( -1.473 0.000 2.445) 2.854 2.258 ( -2.701 0.000 -0.512) 2.749 2.282 ( -1.944 0.000 -1.255) 2.314 2.348 ( -1.062 0.000 1.167) 1.578 2.348 ( -1.031 0.000 1.158) 1.550 2.381 ( 0.292 0.000 -2.197) 2.216 2.456 ( 0.580 0.000 1.279) 1.404 2.476 ( 0.116 0.000 -1.655) 1.659 2.494 ( 0.410 0.000 0.406) 0.577 2.498 ( 0.948 0.000 -1.256) 1.573 2.515 ( 1.547 0.000 0.131) 1.553 2.578 ( -0.295 0.000 -0.672) 0.734 2.591 ( -0.034 0.000 0.590) 0.591 2.609 ( -1.562 0.000 0.802) 1.756 2.634 ( 0.130 0.000 -0.648) 0.661 2.640 ( -1.344 0.000 0.590) 1.468 2.670 ( 1.745 0.000 -0.639) 1.858 2.712 ( -1.525 0.000 1.381) 2.058 2.764 ( -2.121 0.000 0.012) 2.121 2.832 ( 2.241 0.000 0.515) 2.300 2.896 ( 1.209 0.000 -0.359) 1.262 2.917 ( 2.485 0.000 1.461) 2.883 2.958 ( -2.081 0.000 -5.007) 5.422 2.975 ( 0.347 0.000 -1.199) 1.248 3.100 ( -0.399 0.000 -0.359) 0.537 3.178 ( 6.510 0.000 7.419) 9.870 3.412 ( 0.047 0.000 -8.055) 8.055 3.493 ( -1.742 0.000 -2.126) 2.748 3.553 ( -1.212 0.000 3.612) 3.810 3.676 ( 2.153 0.000 -0.767) 2.286 3.704 ( 2.112 0.000 3.947) 4.476 ======================= Grid point 3 (4/40) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 0.000 0.000 -0.000) 0.000 0.637 ( 0.000 0.000 0.000) 0.000 0.640 ( -0.000 0.000 0.000) 0.000 0.734 ( 0.000 0.000 0.000) 0.000 0.754 ( 0.000 0.000 0.000) 0.000 0.762 ( -0.000 0.000 -0.000) 0.000 0.806 ( 0.000 0.000 -0.000) 0.000 0.856 ( 0.000 0.000 0.000) 0.000 0.872 ( 0.000 0.000 0.000) 0.000 0.904 ( 0.000 0.000 0.000) 0.000 0.934 ( 0.000 0.000 0.000) 0.000 0.970 ( 0.000 0.000 -0.000) 0.000 0.981 ( 0.000 0.000 -0.000) 0.000 0.998 ( 0.000 0.000 -0.000) 0.000 1.012 ( 0.000 0.000 0.000) 0.000 1.022 ( -0.000 0.000 0.000) 0.000 1.038 ( 0.000 0.000 0.000) 0.000 1.050 ( 0.000 0.000 -0.000) 0.000 1.059 ( 0.000 0.000 0.000) 0.000 1.076 ( 0.000 0.000 0.000) 0.000 1.099 ( 0.000 0.000 -0.000) 0.000 1.172 ( 0.000 0.000 -0.000) 0.000 1.176 ( 0.000 0.000 -0.000) 0.000 1.182 ( -0.000 0.000 0.000) 0.000 1.182 ( 0.000 0.000 -0.000) 0.000 1.216 ( -0.000 0.000 -0.000) 0.000 1.224 ( 0.000 0.000 -0.000) 0.000 1.240 ( 0.000 0.000 0.000) 0.000 1.268 ( 0.000 0.000 0.000) 0.000 1.281 ( -0.000 0.000 -0.000) 0.000 1.325 ( 0.000 0.000 0.000) 0.000 1.338 ( 0.000 0.000 -0.000) 0.000 1.342 ( 0.000 0.000 -0.000) 0.000 1.358 ( 0.000 0.000 -0.000) 0.000 1.365 ( 0.000 0.000 -0.000) 0.000 1.370 ( 0.000 0.000 0.000) 0.000 1.380 ( -0.000 0.000 0.000) 0.000 1.394 ( 0.000 0.000 0.000) 0.000 1.398 ( 0.000 0.000 0.000) 0.000 1.428 ( 0.000 0.000 -0.000) 0.000 1.455 ( 0.000 0.000 -0.000) 0.000 1.525 ( 0.000 0.000 0.000) 0.000 1.531 ( -0.000 0.000 -0.000) 0.000 1.534 ( 0.000 0.000 -0.000) 0.000 1.570 ( 0.000 0.000 0.000) 0.000 1.591 ( 0.000 0.000 0.000) 0.000 1.594 ( 0.000 0.000 -0.000) 0.000 1.599 ( -0.000 0.000 0.000) 0.000 1.606 ( 0.000 0.000 -0.000) 0.000 1.628 ( 0.000 0.000 -0.000) 0.000 1.629 ( 0.000 0.000 -0.000) 0.000 1.639 ( -0.000 0.000 0.000) 0.000 1.664 ( 0.000 0.000 0.000) 0.000 1.679 ( 0.000 0.000 -0.000) 0.000 1.685 ( 0.000 0.000 0.000) 0.000 1.699 ( 0.000 0.000 0.000) 0.000 1.709 ( 0.000 0.000 -0.000) 0.000 1.723 ( -0.000 0.000 -0.000) 0.000 1.758 ( -0.000 0.000 -0.000) 0.000 1.798 ( 0.000 0.000 -0.000) 0.000 1.813 ( 0.000 0.000 0.000) 0.000 1.860 ( 0.000 0.000 0.000) 0.000 1.868 ( -0.000 0.000 -0.000) 0.000 1.909 ( 0.000 0.000 -0.000) 0.000 1.921 ( -0.000 0.000 0.000) 0.000 1.958 ( 0.000 0.000 -0.000) 0.000 1.969 ( 0.000 0.000 -0.000) 0.000 1.984 ( 0.000 0.000 0.000) 0.000 2.002 ( 0.000 0.000 0.000) 0.000 2.025 ( 0.000 0.000 -0.000) 0.000 2.055 ( 0.000 0.000 0.000) 0.000 2.083 ( 0.000 0.000 0.000) 0.000 2.101 ( 0.000 0.000 -0.000) 0.000 2.153 ( 0.000 0.000 0.000) 0.000 2.178 ( 0.000 0.000 -0.000) 0.000 2.200 ( 0.000 0.000 0.000) 0.000 2.214 ( 0.000 0.000 0.000) 0.000 2.230 ( 0.000 0.000 0.000) 0.000 2.232 ( 0.000 0.000 0.000) 0.000 2.269 ( 0.000 0.000 0.000) 0.000 2.335 ( 0.000 0.000 -0.000) 0.000 2.351 ( 0.000 0.000 -0.000) 0.000 2.381 ( 0.000 0.000 0.000) 0.000 2.473 ( 0.000 0.000 -0.000) 0.000 2.486 ( -1.166 0.000 -1.309) 1.753 2.486 ( 1.166 0.000 1.309) 1.753 2.504 ( 0.000 0.000 -0.000) 0.000 2.533 ( 0.000 0.000 -0.000) 0.000 2.552 ( 0.000 0.000 0.000) 0.000 2.588 ( 0.000 0.000 -0.000) 0.000 2.617 ( 0.000 0.000 0.000) 0.000 2.622 ( 0.000 0.000 -0.000) 0.000 2.637 ( 0.000 0.000 0.000) 0.000 2.688 ( 0.000 0.000 0.000) 0.000 2.689 ( 0.000 0.000 0.000) 0.000 2.734 ( 0.000 0.000 0.000) 0.000 2.880 ( 0.000 0.000 -0.000) 0.000 2.895 ( 0.000 0.000 0.000) 0.000 2.922 ( 0.000 0.000 0.000) 0.000 2.949 ( 0.000 0.000 0.000) 0.000 2.975 ( 0.000 0.000 0.000) 0.000 3.094 ( 0.000 0.000 -0.000) 0.000 3.285 ( 0.000 0.000 -0.000) 0.000 3.365 ( 0.000 0.000 0.000) 0.000 3.474 ( 0.000 0.000 0.000) 0.000 3.548 ( 0.000 0.000 -0.000) 0.000 3.696 ( 0.000 0.000 -0.000) 0.000 3.733 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/40) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.212 ( 0.000 11.222 0.000) 11.222 0.279 ( 0.000 13.968 0.000) 13.968 0.432 ( 0.000 21.395 0.000) 21.395 0.525 ( 0.000 6.095 0.000) 6.095 0.588 ( 0.000 5.490 0.000) 5.490 0.790 ( 0.000 0.747 0.000) 0.747 0.813 ( 0.000 -0.479 0.000) 0.479 0.837 ( 0.000 -0.936 0.000) 0.936 0.854 ( 0.000 0.387 0.000) 0.387 0.884 ( 0.000 0.599 0.000) 0.599 0.887 ( 0.000 0.492 0.000) 0.492 0.962 ( 0.000 -0.783 0.000) 0.783 1.007 ( 0.000 -2.040 0.000) 2.040 1.013 ( 0.000 -0.463 0.000) 0.463 1.022 ( 0.000 -1.611 0.000) 1.611 1.047 ( 0.000 -1.787 0.000) 1.787 1.052 ( 0.000 0.443 0.000) 0.443 1.059 ( 0.000 0.814 0.000) 0.814 1.061 ( 0.000 -1.939 0.000) 1.939 1.074 ( 0.000 -0.146 0.000) 0.146 1.115 ( 0.000 0.086 0.000) 0.086 1.136 ( 0.000 -1.582 0.000) 1.582 1.144 ( 0.000 -0.106 0.000) 0.106 1.160 ( 0.000 1.373 0.000) 1.373 1.179 ( 0.000 0.861 0.000) 0.861 1.229 ( 0.000 -0.607 0.000) 0.607 1.240 ( 0.000 -0.362 0.000) 0.362 1.251 ( 0.000 -2.536 0.000) 2.536 1.255 ( 0.000 -0.828 0.000) 0.828 1.281 ( 0.000 -1.249 0.000) 1.249 1.308 ( 0.000 2.116 0.000) 2.116 1.317 ( 0.000 0.107 0.000) 0.107 1.355 ( 0.000 -0.660 0.000) 0.660 1.382 ( 0.000 -2.820 0.000) 2.820 1.400 ( 0.000 -0.292 0.000) 0.292 1.402 ( 0.000 2.473 0.000) 2.473 1.416 ( 0.000 -0.863 0.000) 0.863 1.418 ( 0.000 0.928 0.000) 0.928 1.425 ( 0.000 0.800 0.000) 0.800 1.427 ( 0.000 -0.481 0.000) 0.481 1.448 ( 0.000 -0.228 0.000) 0.228 1.453 ( 0.000 1.292 0.000) 1.292 1.489 ( 0.000 0.016 0.000) 0.016 1.502 ( 0.000 3.142 0.000) 3.142 1.545 ( 0.000 1.291 0.000) 1.291 1.549 ( 0.000 -1.450 0.000) 1.450 1.554 ( 0.000 2.033 0.000) 2.033 1.564 ( 0.000 2.346 0.000) 2.346 1.574 ( 0.000 1.046 0.000) 1.046 1.576 ( 0.000 -0.208 0.000) 0.208 1.596 ( 0.000 0.204 0.000) 0.204 1.610 ( 0.000 1.244 0.000) 1.244 1.647 ( 0.000 -0.677 0.000) 0.677 1.662 ( 0.000 0.155 0.000) 0.155 1.687 ( 0.000 0.022 0.000) 0.022 1.697 ( 0.000 -0.760 0.000) 0.760 1.701 ( 0.000 2.477 0.000) 2.477 1.746 ( 0.000 1.108 0.000) 1.108 1.769 ( 0.000 2.611 0.000) 2.611 1.776 ( 0.000 -0.001 0.000) 0.001 1.807 ( 0.000 -0.007 0.000) 0.007 1.837 ( 0.000 -2.373 0.000) 2.373 1.873 ( 0.000 -0.515 0.000) 0.515 1.873 ( 0.000 -1.317 0.000) 1.317 1.965 ( 0.000 0.749 0.000) 0.749 1.967 ( 0.000 -1.797 0.000) 1.797 1.991 ( 0.000 -0.511 0.000) 0.511 2.020 ( 0.000 -2.338 0.000) 2.338 2.067 ( 0.000 -2.358 0.000) 2.358 2.081 ( 0.000 -6.089 0.000) 6.089 2.156 ( 0.000 0.431 0.000) 0.431 2.170 ( 0.000 -2.969 0.000) 2.969 2.184 ( 0.000 -0.835 0.000) 0.835 2.238 ( 0.000 -3.194 0.000) 3.194 2.264 ( 0.000 -4.060 0.000) 4.060 2.272 ( 0.000 -2.331 0.000) 2.331 2.309 ( 0.000 -2.984 0.000) 2.984 2.312 ( 0.000 -2.524 0.000) 2.524 2.336 ( 0.000 -2.675 0.000) 2.675 2.351 ( 0.000 -2.797 0.000) 2.797 2.389 ( 0.000 -3.536 0.000) 3.536 2.397 ( 0.000 -3.226 0.000) 3.226 2.402 ( 0.000 -0.011 0.000) 0.011 2.453 ( 0.000 0.240 0.000) 0.240 2.456 ( 0.000 0.041 0.000) 0.041 2.486 ( 0.000 1.350 0.000) 1.350 2.511 ( 0.000 -6.311 0.000) 6.311 2.535 ( 0.000 1.730 0.000) 1.730 2.557 ( 0.000 4.248 0.000) 4.248 2.581 ( 0.000 1.445 0.000) 1.445 2.612 ( 0.000 3.432 0.000) 3.432 2.619 ( 0.000 1.125 0.000) 1.125 2.645 ( 0.000 -2.239 0.000) 2.239 2.674 ( 0.000 -1.464 0.000) 1.464 2.730 ( 0.000 -0.213 0.000) 0.213 2.754 ( 0.000 -2.357 0.000) 2.357 2.838 ( 0.000 4.192 0.000) 4.192 2.851 ( 0.000 2.169 0.000) 2.169 2.891 ( 0.000 3.682 0.000) 3.682 2.935 ( 0.000 1.330 0.000) 1.330 2.946 ( 0.000 2.165 0.000) 2.165 3.046 ( 0.000 -0.003 0.000) 0.003 3.185 ( 0.000 7.337 0.000) 7.337 3.411 ( 0.000 0.296 0.000) 0.296 3.497 ( 0.000 -2.350 0.000) 2.350 3.577 ( 0.000 -0.690 0.000) 0.690 3.624 ( 0.000 3.058 0.000) 3.058 3.726 ( 0.000 0.614 0.000) 0.614 ======================= Grid point 8 (6/40) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.243 ( 5.203 7.199 -0.784) 8.917 0.305 ( 7.745 7.842 0.229) 11.024 0.524 ( 2.332 1.103 -0.350) 2.603 0.618 ( 10.110 11.202 0.928) 15.119 0.678 ( 8.053 9.423 -2.124) 12.576 0.786 ( 0.193 1.009 1.910) 2.169 0.821 ( 0.743 -0.266 1.802) 1.967 0.849 ( -0.896 0.155 -1.698) 1.926 0.852 ( 1.063 0.295 0.656) 1.283 0.892 ( 0.911 -0.378 0.178) 1.003 0.918 ( 2.144 -0.839 -0.583) 2.375 0.957 ( -0.117 -0.355 0.192) 0.420 0.995 ( -1.913 -0.212 -0.740) 2.062 1.002 ( -0.783 -1.255 0.857) 1.710 1.014 ( -2.580 -1.163 1.288) 3.110 1.024 ( -0.913 -1.370 0.236) 1.663 1.035 ( -1.544 0.132 0.341) 1.586 1.040 ( -0.701 -1.078 -0.743) 1.485 1.065 ( -1.200 0.618 -1.268) 1.852 1.072 ( 0.524 -1.266 0.462) 1.446 1.109 ( -0.382 0.972 -0.109) 1.050 1.145 ( 0.692 -2.351 0.430) 2.488 1.160 ( 0.201 -0.060 1.687) 1.700 1.176 ( 0.578 -1.141 0.367) 1.330 1.189 ( 1.181 0.555 0.007) 1.305 1.211 ( -1.465 -0.007 -1.217) 1.904 1.229 ( -0.971 -0.583 3.158) 3.354 1.242 ( 1.126 -1.357 -2.586) 3.130 1.261 ( -1.384 -0.619 1.048) 1.843 1.272 ( 0.216 0.056 -0.738) 0.771 1.297 ( 0.401 -1.693 -1.368) 2.213 1.313 ( 0.058 -0.207 -2.448) 2.458 1.351 ( -2.285 -1.538 0.352) 2.777 1.367 ( 0.425 -1.141 0.333) 1.262 1.385 ( -1.685 0.006 0.011) 1.685 1.400 ( -1.356 -0.563 -2.028) 2.504 1.408 ( -0.215 -0.686 -1.944) 2.072 1.425 ( 1.168 -1.607 1.194) 2.318 1.440 ( -0.139 0.888 -0.730) 1.158 1.445 ( 2.423 1.600 1.016) 3.076 1.464 ( 1.023 -0.878 -0.635) 1.490 1.487 ( 3.000 1.908 0.530) 3.594 1.498 ( -0.035 -0.942 -1.149) 1.486 1.512 ( 1.975 0.591 -0.491) 2.119 1.526 ( -1.419 1.670 0.734) 2.311 1.545 ( -0.443 0.722 -1.541) 1.758 1.561 ( 0.580 0.810 1.551) 1.843 1.577 ( 0.946 0.240 1.910) 2.145 1.590 ( 0.996 0.337 0.949) 1.416 1.595 ( 0.660 -0.247 -1.064) 1.276 1.601 ( 1.100 2.141 2.646) 3.577 1.616 ( 0.959 -0.683 1.317) 1.766 1.649 ( 0.904 -0.373 -0.978) 1.383 1.672 ( 0.333 0.513 0.834) 1.034 1.692 ( 0.027 0.581 -1.083) 1.229 1.707 ( 0.063 -0.699 0.564) 0.900 1.727 ( 0.938 2.453 -1.332) 2.944 1.741 ( 2.112 1.846 -0.940) 2.958 1.754 ( -2.060 0.761 -1.877) 2.889 1.772 ( -0.668 0.666 -0.813) 1.245 1.800 ( 1.409 1.093 0.692) 1.912 1.836 ( -0.909 -1.393 2.101) 2.680 1.868 ( -0.284 -1.231 0.283) 1.294 1.894 ( 1.479 -0.615 -2.172) 2.698 1.933 ( -3.511 0.290 -2.327) 4.222 1.950 ( -1.429 -1.053 0.937) 2.007 1.970 ( -1.400 -1.047 1.911) 2.591 1.995 ( -2.620 -2.948 -2.958) 4.930 2.021 ( -2.435 -0.059 2.922) 3.804 2.057 ( -1.231 -1.854 -2.414) 3.283 2.081 ( -1.860 -2.319 0.175) 2.978 2.155 ( -2.850 0.521 0.975) 3.057 2.184 ( -0.436 -2.066 5.134) 5.551 2.217 ( -0.529 -2.158 0.666) 2.319 2.236 ( -2.060 -3.216 -0.459) 3.847 2.259 ( -3.355 -1.992 -1.633) 4.230 2.275 ( -1.424 -1.886 1.033) 2.579 2.287 ( -2.037 -2.839 -1.106) 3.665 2.300 ( -2.921 -1.404 -0.784) 3.335 2.344 ( -3.762 -3.304 0.318) 5.018 2.357 ( 0.092 -1.304 -0.946) 1.613 2.377 ( -1.201 -2.035 1.845) 2.998 2.392 ( -3.011 -0.311 0.127) 3.030 2.442 ( 0.105 0.218 0.170) 0.295 2.452 ( 0.099 -0.561 -0.794) 0.977 2.494 ( -0.586 0.974 -2.694) 2.924 2.503 ( 0.558 -0.114 0.089) 0.577 2.526 ( -0.525 0.631 1.146) 1.410 2.552 ( 0.438 -2.263 -1.522) 2.762 2.602 ( 0.064 2.539 1.477) 2.938 2.630 ( -0.418 0.645 0.992) 1.255 2.641 ( 1.325 0.760 -0.662) 1.665 2.663 ( 0.843 2.542 0.901) 2.825 2.702 ( 1.388 -0.402 0.955) 1.732 2.729 ( 0.696 -2.080 0.022) 2.194 2.790 ( 1.561 -2.743 0.975) 3.303 2.796 ( 1.909 2.434 -0.522) 3.137 2.852 ( -1.218 5.412 -1.524) 5.752 2.916 ( 1.678 2.513 -0.858) 3.141 2.945 ( 0.227 1.315 -0.502) 1.425 3.025 ( 5.580 -0.206 3.829) 6.771 3.092 ( 2.260 -0.803 0.589) 2.469 3.131 ( -3.931 6.421 -3.793) 8.430 3.417 ( 0.966 0.209 -3.741) 3.869 3.518 ( 1.237 -0.912 -0.014) 1.537 3.554 ( -3.059 -1.308 5.434) 6.372 3.645 ( 1.804 0.914 -2.499) 3.215 3.671 ( -2.201 1.828 1.636) 3.295 ======================= Grid point 9 (7/40) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 11.484 -1.888 1.826) 11.781 0.472 ( 8.965 3.276 0.397) 9.553 0.614 ( 6.168 -1.340 -3.219) 7.085 0.719 ( 3.137 2.978 -2.350) 4.922 0.763 ( -2.763 2.223 -0.887) 3.656 0.800 ( 0.055 1.092 0.145) 1.103 0.853 ( 0.219 -0.047 0.003) 0.225 0.862 ( -0.340 0.972 0.992) 1.430 0.890 ( -1.733 -0.474 0.440) 1.850 0.899 ( 3.301 0.671 2.025) 3.930 0.934 ( -0.963 1.669 1.319) 2.335 0.945 ( 2.230 0.824 1.710) 2.929 0.969 ( -2.568 -0.023 -0.020) 2.569 0.980 ( 0.138 -0.721 0.809) 1.092 0.992 ( -0.369 -0.314 -0.152) 0.508 1.009 ( 3.410 0.059 -0.114) 3.413 1.025 ( 0.079 -1.128 0.766) 1.365 1.037 ( -0.157 -0.586 -0.890) 1.077 1.050 ( 0.343 -0.561 0.011) 0.657 1.077 ( -0.298 -0.514 0.112) 0.604 1.089 ( -0.671 -0.025 -0.128) 0.683 1.156 ( -0.372 -0.247 1.225) 1.304 1.168 ( -1.214 -0.611 -0.071) 1.361 1.172 ( 0.328 -0.939 1.767) 2.028 1.178 ( -1.171 -1.748 -0.758) 2.237 1.199 ( -1.475 0.132 -2.467) 2.877 1.216 ( 0.566 -0.116 0.351) 0.676 1.223 ( 0.693 -1.363 2.949) 3.322 1.264 ( -0.263 -1.296 -1.350) 1.890 1.295 ( 0.801 -2.775 -1.915) 3.466 1.307 ( 0.528 -0.879 -1.182) 1.565 1.317 ( -0.134 -0.745 0.550) 0.936 1.334 ( 0.748 -0.781 -1.002) 1.474 1.347 ( -1.167 -0.713 -1.839) 2.292 1.358 ( -0.728 -0.198 -0.819) 1.114 1.386 ( 0.547 0.384 1.050) 1.245 1.400 ( -0.131 -0.688 -1.119) 1.320 1.416 ( -1.236 -0.318 -1.410) 1.902 1.447 ( -1.288 1.153 -0.953) 1.974 1.464 ( -1.480 0.493 1.922) 2.476 1.473 ( 0.837 -1.250 0.492) 1.583 1.494 ( -0.650 0.534 1.332) 1.576 1.508 ( 1.101 -1.586 0.188) 1.940 1.526 ( 0.711 0.142 -0.336) 0.799 1.546 ( 0.725 -1.490 -1.000) 1.935 1.549 ( 1.342 0.347 -0.203) 1.401 1.576 ( 0.299 0.022 0.321) 0.439 1.588 ( 1.333 -0.071 0.598) 1.463 1.599 ( -0.337 -1.149 -0.556) 1.320 1.614 ( -0.226 -0.613 -1.807) 1.921 1.632 ( 1.073 1.438 1.888) 2.605 1.645 ( -0.083 -0.680 2.142) 2.249 1.659 ( -1.597 0.491 0.086) 1.673 1.673 ( 2.115 -0.369 -0.436) 2.191 1.687 ( 1.065 1.987 0.106) 2.257 1.707 ( -0.316 0.440 -0.309) 0.623 1.710 ( -0.670 -0.281 0.070) 0.730 1.734 ( -1.040 0.347 1.070) 1.532 1.767 ( 0.199 1.206 -1.379) 1.843 1.781 ( 1.705 -1.181 -0.927) 2.272 1.827 ( 0.834 0.547 1.222) 1.577 1.851 ( -1.200 -3.587 -1.615) 4.113 1.870 ( -0.352 0.992 0.330) 1.103 1.875 ( 3.234 2.017 1.210) 3.999 1.900 ( 0.216 -0.613 -1.423) 1.565 1.935 ( -0.092 0.095 0.562) 0.577 1.956 ( -1.762 -1.319 -2.228) 3.132 1.971 ( -0.247 -0.830 1.560) 1.785 2.007 ( 1.017 0.196 1.094) 1.507 2.013 ( -1.404 -1.222 -0.548) 1.940 2.068 ( -0.527 -1.477 -0.276) 1.593 2.111 ( -2.177 -1.142 1.339) 2.799 2.155 ( -3.919 -0.222 -1.884) 4.354 2.180 ( -3.164 -2.760 0.888) 4.291 2.182 ( -2.919 -1.422 -0.430) 3.275 2.203 ( -1.392 -0.764 1.480) 2.171 2.230 ( -2.555 -1.782 0.296) 3.129 2.237 ( -1.527 -0.059 0.108) 1.532 2.254 ( -2.434 0.418 0.455) 2.511 2.306 ( 0.569 -1.842 -0.411) 1.972 2.338 ( -0.785 0.327 -0.340) 0.916 2.350 ( -1.960 -0.309 1.447) 2.456 2.380 ( 0.846 -0.382 -0.408) 1.014 2.438 ( -0.802 -1.129 -0.242) 1.406 2.458 ( 0.968 0.472 -0.105) 1.082 2.472 ( -0.330 0.298 -0.874) 0.981 2.515 ( 0.007 -1.389 -0.787) 1.596 2.522 ( -0.009 -0.249 -0.470) 0.532 2.545 ( -0.566 -2.257 -0.247) 2.340 2.596 ( -0.107 -0.529 0.160) 0.562 2.627 ( -0.193 2.510 1.296) 2.831 2.655 ( -0.988 1.948 0.442) 2.229 2.673 ( 0.908 0.137 0.704) 1.157 2.715 ( -0.164 1.082 -0.211) 1.115 2.744 ( 0.165 2.108 0.088) 2.116 2.779 ( -1.947 3.458 0.017) 3.968 2.851 ( 1.808 1.900 0.311) 2.641 2.864 ( 3.081 -1.393 1.378) 3.652 2.934 ( -0.334 1.618 -1.784) 2.432 2.945 ( 0.901 1.106 -1.786) 2.286 3.041 ( -3.065 3.808 -3.128) 5.803 3.111 ( 0.001 1.046 0.302) 1.089 3.161 ( 6.080 -1.458 6.035) 8.691 3.410 ( -0.515 -0.588 -9.681) 9.713 3.481 ( -3.446 -1.069 3.044) 4.721 3.544 ( 0.208 -0.540 1.925) 2.011 3.668 ( 1.078 -0.917 -1.140) 1.817 3.681 ( 1.054 -2.198 3.384) 4.171 ======================= Grid point 10 (8/40) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 0.000 2.601 -0.000) 2.601 0.606 ( 0.000 -1.058 -0.000) 1.058 0.679 ( -0.000 1.596 -0.000) 1.596 0.698 ( 0.000 -2.728 0.000) 2.728 0.754 ( 0.000 0.091 -0.000) 0.091 0.758 ( -0.000 -0.239 0.000) 0.239 0.821 ( -0.000 1.426 0.000) 1.426 0.847 ( 0.000 -0.425 0.000) 0.425 0.887 ( 0.000 0.753 0.000) 0.753 0.901 ( 0.000 -0.255 0.000) 0.255 0.935 ( 0.000 -1.208 -0.000) 1.208 0.953 ( 0.000 0.439 0.000) 0.439 0.978 ( 0.000 -0.156 0.000) 0.156 0.994 ( 0.000 -1.017 -0.000) 1.017 1.006 ( -0.000 -1.388 -0.000) 1.388 1.008 ( 0.000 -0.706 0.000) 0.706 1.041 ( -0.000 -0.912 -0.000) 0.912 1.054 ( -0.000 -2.193 -0.000) 2.193 1.055 ( 0.000 -0.186 0.000) 0.186 1.080 ( -0.000 2.024 0.000) 2.024 1.089 ( 0.000 -0.203 0.000) 0.203 1.135 ( 0.000 -3.060 -0.000) 3.060 1.150 ( -0.000 -1.582 -0.000) 1.582 1.179 ( 0.000 -1.103 -0.000) 1.103 1.181 ( -0.000 0.069 0.000) 0.069 1.200 ( 0.000 -2.019 0.000) 2.019 1.219 ( -0.000 2.862 0.000) 2.862 1.237 ( 0.000 -1.310 0.000) 1.310 1.272 ( 0.000 -0.343 0.000) 0.343 1.277 ( -0.000 -0.965 -0.000) 0.965 1.307 ( -0.000 -2.044 -0.000) 2.044 1.308 ( 0.000 0.417 0.000) 0.417 1.336 ( 0.000 -1.515 -0.000) 1.515 1.357 ( 0.000 -1.405 0.000) 1.405 1.368 ( 0.000 0.324 -0.000) 0.324 1.376 ( -0.000 0.901 -0.000) 0.901 1.394 ( -0.000 1.535 0.000) 1.535 1.401 ( 0.000 1.654 0.000) 1.654 1.411 ( 0.000 0.319 -0.000) 0.319 1.447 ( 0.000 0.599 -0.000) 0.599 1.484 ( 0.000 1.562 -0.000) 1.562 1.501 ( 0.000 -2.677 -0.000) 2.677 1.513 ( 0.000 -1.586 0.000) 1.586 1.521 ( 0.000 -2.043 -0.000) 2.043 1.559 ( 0.000 -0.057 -0.000) 0.057 1.569 ( -0.000 -2.040 -0.000) 2.040 1.583 ( 0.000 -0.894 -0.000) 0.894 1.585 ( -0.000 -1.857 0.000) 1.857 1.601 ( -0.000 -0.737 -0.000) 0.737 1.603 ( 0.000 -0.548 0.000) 0.548 1.633 ( -0.000 -1.477 0.000) 1.477 1.639 ( 0.000 0.559 -0.000) 0.559 1.662 ( 0.000 1.472 -0.000) 1.472 1.682 ( -0.000 -0.316 0.000) 0.316 1.693 ( 0.000 0.677 0.000) 0.677 1.701 ( 0.000 -0.139 0.000) 0.139 1.708 ( 0.000 1.279 -0.000) 1.279 1.755 ( -0.000 1.345 0.000) 1.345 1.757 ( 0.000 0.056 -0.000) 0.056 1.784 ( 0.000 -0.500 0.000) 0.500 1.829 ( 0.000 -2.108 -0.000) 2.108 1.861 ( 0.000 2.720 -0.000) 2.720 1.869 ( 0.000 -0.099 0.000) 0.099 1.899 ( 0.000 -1.489 0.000) 1.489 1.916 ( -0.000 -1.046 -0.000) 1.046 1.925 ( 0.000 -1.391 -0.000) 1.391 1.947 ( 0.000 -0.772 0.000) 0.772 1.965 ( 0.000 -0.313 -0.000) 0.313 2.012 ( -0.000 -1.478 -0.000) 1.478 2.044 ( 0.000 3.030 0.000) 3.030 2.057 ( 0.000 0.218 0.000) 0.218 2.081 ( 0.000 -1.107 0.000) 1.107 2.085 ( -0.000 -0.802 -0.000) 0.802 2.135 ( 0.000 -0.911 -0.000) 0.911 2.160 ( 0.000 -1.838 0.000) 1.838 2.184 ( 0.000 -0.600 -0.000) 0.600 2.213 ( -0.000 -1.540 -0.000) 1.540 2.217 ( 0.000 -0.291 0.000) 0.291 2.238 ( 0.000 1.924 0.000) 1.924 2.297 ( 0.000 1.580 -0.000) 1.580 2.332 ( 0.000 -1.414 -0.000) 1.414 2.354 ( 0.000 -0.112 0.000) 0.112 2.386 ( 0.000 0.341 0.000) 0.341 2.423 ( 0.000 -2.678 0.000) 2.678 2.467 ( 0.000 -1.055 -0.000) 1.055 2.470 ( 0.000 1.293 0.000) 1.293 2.516 ( 0.000 -1.407 -0.000) 1.407 2.520 ( 0.000 -0.627 0.000) 0.627 2.541 ( -0.000 0.175 0.000) 0.175 2.587 ( 0.000 -1.535 -0.000) 1.535 2.640 ( 0.000 0.112 -0.000) 0.112 2.642 ( -0.000 -1.579 0.000) 1.579 2.667 ( -0.000 5.110 -0.000) 5.110 2.726 ( -0.000 3.828 0.000) 3.828 2.730 ( 0.000 -0.623 -0.000) 0.623 2.757 ( 0.000 4.710 0.000) 4.710 2.885 ( 0.000 0.913 -0.000) 0.913 2.905 ( 0.000 -1.366 0.000) 1.366 2.912 ( 0.000 1.808 -0.000) 1.808 2.948 ( 0.000 0.364 0.000) 0.364 3.008 ( 0.000 3.352 0.000) 3.352 3.109 ( 0.000 1.343 -0.000) 1.343 3.262 ( 0.000 -2.174 -0.000) 2.174 3.351 ( 0.000 -1.994 0.000) 1.994 3.459 ( 0.000 -0.916 0.000) 0.916 3.548 ( 0.000 0.060 -0.000) 0.060 3.677 ( 0.000 -1.775 -0.000) 1.775 3.699 ( 0.000 -3.332 0.000) 3.332 ======================= Grid point 14 (9/40) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 0.000 11.029 0.000) 11.029 0.524 ( 0.000 11.356 0.000) 11.356 0.660 ( 0.000 7.485 0.000) 7.485 0.665 ( 0.000 2.896 0.000) 2.896 0.786 ( 0.000 3.096 0.000) 3.096 0.814 ( 0.000 2.240 0.000) 2.240 0.826 ( 0.000 1.998 0.000) 1.998 0.834 ( 0.000 7.241 0.000) 7.241 0.857 ( 0.000 0.179 0.000) 0.179 0.885 ( 0.000 -0.193 0.000) 0.193 0.900 ( 0.000 1.268 0.000) 1.268 0.952 ( 0.000 -3.860 0.000) 3.860 0.961 ( 0.000 -0.546 0.000) 0.546 0.986 ( 0.000 -4.479 0.000) 4.479 0.991 ( 0.000 -1.552 0.000) 1.552 1.004 ( 0.000 0.616 0.000) 0.616 1.023 ( 0.000 -0.942 0.000) 0.942 1.046 ( 0.000 -1.268 0.000) 1.268 1.060 ( 0.000 -0.486 0.000) 0.486 1.089 ( 0.000 2.096 0.000) 2.096 1.118 ( 0.000 0.261 0.000) 0.261 1.127 ( 0.000 -2.919 0.000) 2.919 1.139 ( 0.000 0.486 0.000) 0.486 1.142 ( 0.000 -0.328 0.000) 0.328 1.183 ( 0.000 0.479 0.000) 0.479 1.199 ( 0.000 -0.982 0.000) 0.982 1.216 ( 0.000 -1.033 0.000) 1.033 1.238 ( 0.000 0.041 0.000) 0.041 1.251 ( 0.000 -1.331 0.000) 1.331 1.289 ( 0.000 3.575 0.000) 3.575 1.321 ( 0.000 -0.248 0.000) 0.248 1.335 ( 0.000 0.448 0.000) 0.448 1.345 ( 0.000 -0.353 0.000) 0.353 1.347 ( 0.000 0.666 0.000) 0.666 1.376 ( 0.000 -0.953 0.000) 0.953 1.383 ( 0.000 -1.647 0.000) 1.647 1.408 ( 0.000 -3.108 0.000) 3.108 1.413 ( 0.000 -0.509 0.000) 0.509 1.432 ( 0.000 -0.329 0.000) 0.329 1.432 ( 0.000 -0.183 0.000) 0.183 1.471 ( 0.000 -0.568 0.000) 0.568 1.480 ( 0.000 3.239 0.000) 3.239 1.487 ( 0.000 -0.275 0.000) 0.275 1.514 ( 0.000 -2.788 0.000) 2.788 1.525 ( 0.000 -0.628 0.000) 0.628 1.568 ( 0.000 0.808 0.000) 0.808 1.581 ( 0.000 1.443 0.000) 1.443 1.584 ( 0.000 -1.086 0.000) 1.086 1.597 ( 0.000 1.552 0.000) 1.552 1.603 ( 0.000 0.177 0.000) 0.177 1.622 ( 0.000 1.389 0.000) 1.389 1.644 ( 0.000 -0.432 0.000) 0.432 1.650 ( 0.000 3.617 0.000) 3.617 1.666 ( 0.000 0.333 0.000) 0.333 1.673 ( 0.000 -1.955 0.000) 1.955 1.710 ( 0.000 2.852 0.000) 2.852 1.741 ( 0.000 -2.035 0.000) 2.035 1.755 ( 0.000 1.953 0.000) 1.953 1.785 ( 0.000 2.552 0.000) 2.552 1.799 ( 0.000 1.324 0.000) 1.324 1.806 ( 0.000 -0.268 0.000) 0.268 1.821 ( 0.000 0.661 0.000) 0.661 1.860 ( 0.000 0.510 0.000) 0.510 1.875 ( 0.000 0.625 0.000) 0.625 1.903 ( 0.000 -2.712 0.000) 2.712 1.941 ( 0.000 -2.966 0.000) 2.966 1.977 ( 0.000 -1.329 0.000) 1.329 1.979 ( 0.000 -1.071 0.000) 1.071 2.015 ( 0.000 -0.941 0.000) 0.941 2.044 ( 0.000 -0.779 0.000) 0.779 2.095 ( 0.000 -1.640 0.000) 1.640 2.161 ( 0.000 -1.825 0.000) 1.825 2.170 ( 0.000 -2.360 0.000) 2.360 2.200 ( 0.000 -4.124 0.000) 4.124 2.206 ( 0.000 1.779 0.000) 1.779 2.230 ( 0.000 -1.164 0.000) 1.164 2.241 ( 0.000 -4.537 0.000) 4.537 2.254 ( 0.000 -2.232 0.000) 2.232 2.285 ( 0.000 -3.397 0.000) 3.397 2.293 ( 0.000 -2.548 0.000) 2.548 2.317 ( 0.000 -2.833 0.000) 2.833 2.339 ( 0.000 -1.526 0.000) 1.526 2.386 ( 0.000 -2.949 0.000) 2.949 2.413 ( 0.000 -0.024 0.000) 0.024 2.446 ( 0.000 -0.006 0.000) 0.006 2.493 ( 0.000 0.769 0.000) 0.769 2.501 ( 0.000 0.547 0.000) 0.547 2.550 ( 0.000 -1.153 0.000) 1.153 2.589 ( 0.000 -0.406 0.000) 0.406 2.592 ( 0.000 0.027 0.000) 0.027 2.625 ( 0.000 0.748 0.000) 0.748 2.633 ( 0.000 0.482 0.000) 0.482 2.650 ( 0.000 -0.244 0.000) 0.244 2.672 ( 0.000 1.103 0.000) 1.103 2.716 ( 0.000 -0.976 0.000) 0.976 2.729 ( 0.000 -0.279 0.000) 0.279 2.898 ( 0.000 1.834 0.000) 1.834 2.899 ( 0.000 1.700 0.000) 1.700 2.946 ( 0.000 2.544 0.000) 2.544 2.966 ( 0.000 1.472 0.000) 1.472 2.996 ( 0.000 2.958 0.000) 2.958 3.054 ( 0.000 0.314 0.000) 0.314 3.323 ( 0.000 6.459 0.000) 6.459 3.422 ( 0.000 1.053 0.000) 1.053 3.452 ( 0.000 -2.233 0.000) 2.233 3.541 ( 0.000 -3.043 0.000) 3.043 3.686 ( 0.000 3.001 0.000) 3.001 3.737 ( 0.000 0.265 0.000) 0.265 ======================= Grid point 15 (10/40) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( -1.943 12.266 -2.796) 12.730 0.480 ( 3.714 9.861 0.911) 10.577 0.594 ( -2.522 5.490 2.381) 6.494 0.729 ( 3.504 2.618 -2.368) 4.974 0.787 ( 0.128 -2.000 -1.363) 2.424 0.814 ( -0.279 -0.653 0.207) 0.740 0.832 ( -0.362 1.284 0.908) 1.613 0.871 ( 1.327 0.600 -0.650) 1.595 0.882 ( 0.124 0.524 0.463) 0.710 0.905 ( 1.790 0.180 0.461) 1.857 0.910 ( 2.518 4.107 1.403) 5.018 0.960 ( 0.625 -2.141 -0.299) 2.250 0.967 ( 1.161 0.670 0.312) 1.376 0.978 ( -1.170 -1.687 -0.022) 2.053 0.991 ( 0.336 -0.749 1.045) 1.330 1.000 ( -0.894 -0.756 0.049) 1.172 1.016 ( 0.026 -0.293 -0.930) 0.975 1.031 ( -0.975 -1.645 0.597) 2.003 1.054 ( -2.010 -0.079 2.406) 3.136 1.084 ( 0.293 -0.477 0.876) 1.040 1.098 ( -2.161 1.353 -1.161) 2.802 1.123 ( -0.191 0.515 0.255) 0.605 1.146 ( 0.386 -1.643 -1.157) 2.046 1.161 ( 1.260 -0.076 1.559) 2.006 1.188 ( 0.289 0.370 -0.833) 0.956 1.201 ( 0.013 -2.849 1.232) 3.104 1.217 ( 0.594 0.029 -2.263) 2.339 1.236 ( -0.708 0.163 1.498) 1.665 1.236 ( 0.014 -0.040 0.991) 0.992 1.272 ( -2.680 0.212 0.114) 2.691 1.283 ( -1.499 1.668 -0.431) 2.284 1.309 ( -3.082 -1.934 -0.373) 3.658 1.319 ( 0.062 -0.175 -2.465) 2.472 1.358 ( 0.039 -1.097 -0.707) 1.306 1.368 ( 0.059 -1.272 -0.211) 1.290 1.388 ( -0.578 -0.664 0.413) 0.973 1.390 ( 0.165 -0.130 -0.398) 0.450 1.407 ( -0.655 0.760 -0.330) 1.056 1.436 ( -0.040 -1.153 -0.579) 1.291 1.451 ( 0.846 -0.553 -0.323) 1.061 1.480 ( 1.105 0.828 0.686) 1.542 1.481 ( -0.113 -0.900 -0.681) 1.134 1.506 ( -0.388 -1.430 0.262) 1.505 1.517 ( 1.543 0.914 0.286) 1.816 1.535 ( 0.275 -1.785 0.175) 1.815 1.557 ( -1.453 -0.327 0.965) 1.774 1.580 ( -0.755 1.075 -1.010) 1.657 1.588 ( 0.513 0.604 0.253) 0.832 1.600 ( -0.536 1.658 1.587) 2.357 1.611 ( -1.124 1.708 0.254) 2.060 1.619 ( 0.985 -1.289 -0.256) 1.642 1.635 ( 0.979 1.373 1.960) 2.585 1.643 ( 0.674 1.232 -0.540) 1.505 1.676 ( 0.137 -1.954 0.106) 1.962 1.687 ( 0.270 -0.906 1.125) 1.470 1.718 ( -0.394 2.003 -1.452) 2.505 1.740 ( 0.850 -1.154 0.119) 1.438 1.766 ( -0.939 0.127 -0.677) 1.165 1.780 ( -0.335 1.497 -1.405) 2.080 1.784 ( -0.371 0.776 -2.157) 2.322 1.801 ( 1.082 2.364 -1.866) 3.200 1.824 ( 0.604 -0.026 2.099) 2.184 1.868 ( 0.511 -0.323 0.448) 0.752 1.883 ( -0.006 -1.143 -0.077) 1.145 1.910 ( -0.321 -0.199 0.449) 0.586 1.935 ( -0.589 1.192 -0.258) 1.354 1.955 ( -0.409 -1.145 -1.416) 1.867 1.962 ( -0.676 -0.854 -0.447) 1.178 2.024 ( -1.900 0.240 -0.588) 2.004 2.028 ( -1.790 -0.757 0.807) 2.104 2.045 ( -0.443 -1.459 0.895) 1.768 2.124 ( -2.468 -1.214 -0.003) 2.750 2.166 ( -1.658 -3.836 1.417) 4.413 2.185 ( -0.551 -2.258 0.571) 2.393 2.198 ( -1.199 0.360 -0.138) 1.259 2.220 ( -1.740 -0.884 0.387) 1.990 2.225 ( -0.342 -1.466 -0.640) 1.635 2.246 ( -0.429 -0.994 -0.297) 1.122 2.262 ( -2.041 -2.543 -0.088) 3.262 2.288 ( 0.242 -2.011 0.946) 2.236 2.321 ( -1.872 -1.843 0.259) 2.640 2.348 ( 0.463 -2.959 0.922) 3.134 2.356 ( -0.433 -0.288 -0.535) 0.747 2.437 ( 1.619 -1.297 -0.182) 2.083 2.458 ( -0.026 -0.263 -0.065) 0.272 2.490 ( 0.071 -0.947 -0.108) 0.956 2.500 ( -0.142 0.084 -0.813) 0.829 2.514 ( -2.084 0.369 -0.861) 2.284 2.540 ( -1.871 0.299 -1.430) 2.374 2.604 ( 0.379 -1.452 1.209) 1.928 2.622 ( -0.520 -0.936 1.807) 2.100 2.661 ( 0.925 -1.343 1.061) 1.945 2.680 ( 0.128 1.807 -1.581) 2.405 2.702 ( 2.464 0.693 0.130) 2.563 2.727 ( 2.098 -0.099 -0.075) 2.102 2.755 ( 1.651 -0.395 1.105) 2.025 2.867 ( 0.211 3.550 0.040) 3.557 2.938 ( -0.121 2.783 -1.563) 3.194 2.958 ( 1.140 0.421 2.003) 2.343 2.965 ( 0.572 1.548 -1.440) 2.190 3.036 ( 3.392 1.347 1.547) 3.964 3.077 ( 1.817 -0.678 0.668) 2.051 3.254 ( -4.697 6.243 -4.781) 9.160 3.410 ( 0.170 -1.215 -7.394) 7.495 3.496 ( 2.083 -0.906 4.647) 5.172 3.524 ( -3.037 -1.846 7.449) 8.254 3.668 ( -1.306 1.315 -2.428) 3.055 3.692 ( -3.546 0.385 -0.094) 3.568 ======================= Grid point 16 (11/40) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 5.477 6.889 -1.215) 8.885 0.574 ( 4.736 5.453 1.485) 7.374 0.623 ( 4.633 2.860 -0.337) 5.455 0.748 ( -1.993 -1.979 -1.023) 2.989 0.777 ( -1.855 0.360 -0.263) 1.908 0.805 ( 1.037 -0.701 -0.466) 1.336 0.847 ( 1.333 -0.140 0.999) 1.672 0.869 ( -1.789 -0.126 -0.590) 1.888 0.880 ( -2.897 -0.194 0.289) 2.918 0.903 ( -0.280 -0.015 -1.151) 1.184 0.938 ( 0.859 -0.289 1.142) 1.458 0.946 ( -0.584 -1.692 -1.240) 2.177 0.959 ( -0.169 -1.673 1.209) 2.071 0.970 ( -0.887 -0.948 1.028) 1.656 0.987 ( 0.184 -3.091 0.178) 3.101 0.993 ( -2.909 1.202 0.505) 3.188 1.016 ( 0.967 -1.200 -1.633) 2.246 1.024 ( -0.244 0.501 0.902) 1.061 1.039 ( 0.102 -0.246 1.491) 1.514 1.085 ( 0.915 -0.183 -0.222) 0.959 1.093 ( -0.740 1.573 -0.099) 1.741 1.116 ( -0.518 -2.030 1.984) 2.885 1.144 ( -0.123 -0.565 0.418) 0.714 1.167 ( -1.652 -0.850 1.195) 2.209 1.180 ( -0.378 0.611 1.752) 1.894 1.200 ( -0.220 0.024 -0.717) 0.750 1.211 ( -0.941 0.240 -1.742) 1.995 1.225 ( 1.697 0.076 -2.405) 2.944 1.253 ( 0.592 0.779 0.200) 0.999 1.264 ( 0.623 -0.488 0.175) 0.810 1.277 ( 0.219 -1.147 -0.342) 1.216 1.294 ( 2.622 -1.247 0.993) 3.069 1.321 ( 0.053 -1.464 0.134) 1.471 1.338 ( -1.179 0.061 -1.847) 2.192 1.364 ( -0.985 0.369 0.540) 1.182 1.382 ( 0.893 0.207 -1.592) 1.837 1.395 ( 1.192 0.624 2.277) 2.644 1.399 ( -0.531 0.331 -1.815) 1.920 1.432 ( -0.205 -2.087 -0.171) 2.104 1.452 ( -1.089 -0.707 -0.376) 1.352 1.470 ( -0.854 -2.419 -0.873) 2.710 1.490 ( -0.977 -0.239 -0.649) 1.197 1.494 ( -0.582 -0.132 0.212) 0.634 1.524 ( -0.253 -0.733 0.292) 0.829 1.537 ( -0.482 0.044 0.852) 0.980 1.546 ( 0.119 0.111 0.684) 0.703 1.557 ( -0.417 -0.409 1.346) 1.467 1.573 ( -1.605 -1.649 -0.516) 2.358 1.594 ( -0.200 -0.149 0.200) 0.320 1.604 ( -0.891 -0.043 0.314) 0.946 1.619 ( 0.108 -0.834 -0.201) 0.865 1.641 ( 0.548 -1.620 -1.478) 2.260 1.664 ( -0.479 0.372 -0.053) 0.609 1.674 ( -1.179 -0.185 0.396) 1.257 1.694 ( 0.831 -0.419 2.307) 2.487 1.718 ( 1.223 0.829 0.191) 1.490 1.740 ( -0.593 1.656 0.327) 1.789 1.763 ( -0.698 1.685 0.090) 1.826 1.767 ( 0.704 0.530 -3.536) 3.644 1.790 ( -1.336 0.636 -1.187) 1.897 1.804 ( 2.921 0.815 -0.844) 3.147 1.838 ( 0.056 0.691 0.595) 0.913 1.872 ( 0.558 -0.942 0.020) 1.095 1.883 ( 0.255 -0.398 0.068) 0.477 1.892 ( -0.818 -1.118 -0.177) 1.396 1.944 ( -0.890 -0.810 -1.061) 1.604 1.958 ( 1.445 2.470 0.083) 2.862 1.973 ( 1.811 0.000 0.445) 1.865 1.990 ( -1.409 -0.418 -0.608) 1.591 2.013 ( 0.749 0.598 1.121) 1.475 2.045 ( -0.766 -1.495 1.430) 2.206 2.087 ( -1.029 0.115 -0.084) 1.039 2.135 ( -1.722 -1.861 0.530) 2.591 2.152 ( -2.272 -1.840 -0.367) 2.946 2.167 ( -2.653 -0.102 0.475) 2.697 2.182 ( -1.098 -1.660 0.145) 1.995 2.195 ( -1.951 0.003 -0.597) 2.040 2.239 ( -0.436 0.295 0.220) 0.570 2.270 ( 0.531 0.965 0.867) 1.401 2.279 ( 1.145 -0.058 -0.347) 1.198 2.318 ( 1.066 -0.534 0.129) 1.199 2.345 ( -0.638 -1.272 0.446) 1.491 2.365 ( 0.848 -1.122 0.507) 1.495 2.419 ( -2.829 -0.626 -0.582) 2.955 2.462 ( -0.306 -1.635 0.407) 1.712 2.484 ( 0.569 -1.151 -1.314) 1.837 2.498 ( -0.012 -0.842 0.841) 1.190 2.506 ( -0.084 -0.000 -0.546) 0.552 2.523 ( 1.358 1.551 -0.372) 2.095 2.587 ( -0.478 0.386 -0.400) 0.733 2.645 ( -0.571 -1.046 2.225) 2.524 2.661 ( -1.053 -1.060 -0.166) 1.504 2.683 ( 0.728 -0.363 0.003) 0.813 2.707 ( 0.093 1.021 -0.949) 1.397 2.757 ( 0.790 -0.332 -0.035) 0.858 2.789 ( 0.445 -1.565 1.467) 2.191 2.893 ( 1.399 2.401 0.092) 2.781 2.925 ( -0.444 4.682 -0.172) 4.706 2.955 ( -0.355 -0.389 -3.330) 3.371 2.983 ( 0.447 2.441 0.660) 2.568 3.096 ( -0.175 0.656 -0.059) 0.681 3.124 ( 4.324 -0.846 3.843) 5.846 3.165 ( -2.156 4.365 -2.235) 5.357 3.364 ( -3.308 -4.205 -7.384) 9.119 3.480 ( -2.512 1.259 5.713) 6.367 3.539 ( 1.153 -0.286 1.801) 2.157 3.631 ( -1.435 -2.080 0.156) 2.532 3.646 ( -1.005 -1.571 -1.076) 2.153 ======================= Grid point 17 (12/40) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 0.000 1.446 0.000) 1.446 0.630 ( -0.000 0.270 -0.000) 0.270 0.679 ( 0.000 -1.147 0.000) 1.147 0.685 ( -0.000 1.166 -0.000) 1.166 0.746 ( -0.000 0.394 0.000) 0.394 0.793 ( 0.000 3.127 0.000) 3.127 0.841 ( -0.000 -0.142 0.000) 0.142 0.847 ( 0.000 0.947 0.000) 0.947 0.881 ( 0.000 -1.583 -0.000) 1.583 0.908 ( -0.000 -1.072 0.000) 1.072 0.911 ( 0.000 1.272 -0.000) 1.272 0.942 ( 0.000 -2.965 0.000) 2.965 0.957 ( 0.000 -1.153 -0.000) 1.153 0.974 ( 0.000 -0.367 -0.000) 0.367 0.985 ( 0.000 -1.175 0.000) 1.175 0.993 ( -0.000 -1.068 -0.000) 1.068 1.002 ( 0.000 -1.286 0.000) 1.286 1.038 ( -0.000 -2.751 -0.000) 2.751 1.050 ( -0.000 1.851 -0.000) 1.851 1.068 ( 0.000 -2.210 -0.000) 2.210 1.075 ( -0.000 1.303 0.000) 1.303 1.119 ( 0.000 -1.863 -0.000) 1.863 1.141 ( 0.000 -1.165 0.000) 1.165 1.152 ( 0.000 -1.098 0.000) 1.098 1.173 ( -0.000 1.509 -0.000) 1.509 1.191 ( 0.000 0.558 -0.000) 0.558 1.228 ( -0.000 1.038 0.000) 1.038 1.242 ( 0.000 -1.942 0.000) 1.942 1.244 ( -0.000 -3.266 -0.000) 3.266 1.271 ( 0.000 1.721 0.000) 1.721 1.284 ( 0.000 -0.148 -0.000) 0.148 1.308 ( 0.000 0.060 -0.000) 0.060 1.326 ( 0.000 -0.107 0.000) 0.107 1.333 ( 0.000 -0.362 0.000) 0.362 1.381 ( -0.000 -0.844 -0.000) 0.844 1.396 ( 0.000 -0.999 -0.000) 0.999 1.396 ( -0.000 -2.473 0.000) 2.473 1.406 ( -0.000 3.359 -0.000) 3.359 1.416 ( -0.000 -1.407 0.000) 1.407 1.440 ( 0.000 -2.839 0.000) 2.839 1.448 ( 0.000 -2.711 -0.000) 2.711 1.468 ( 0.000 1.624 -0.000) 1.624 1.498 ( -0.000 1.965 0.000) 1.965 1.499 ( 0.000 0.230 -0.000) 0.230 1.537 ( 0.000 -1.770 -0.000) 1.770 1.548 ( -0.000 -1.129 0.000) 1.129 1.555 ( 0.000 -1.091 0.000) 1.091 1.570 ( 0.000 -1.273 -0.000) 1.273 1.597 ( 0.000 0.187 -0.000) 0.187 1.600 ( -0.000 -0.300 0.000) 0.300 1.614 ( -0.000 -0.824 0.000) 0.824 1.635 ( 0.000 -1.334 -0.000) 1.334 1.648 ( 0.000 -1.580 -0.000) 1.580 1.673 ( 0.000 -3.769 0.000) 3.769 1.712 ( 0.000 2.419 -0.000) 2.419 1.721 ( 0.000 2.744 0.000) 2.744 1.736 ( 0.000 2.130 0.000) 2.130 1.754 ( 0.000 -0.192 0.000) 0.192 1.757 ( 0.000 1.172 -0.000) 1.172 1.780 ( 0.000 -0.413 -0.000) 0.413 1.844 ( 0.000 2.201 -0.000) 2.201 1.865 ( 0.000 0.203 0.000) 0.203 1.878 ( 0.000 -0.487 0.000) 0.487 1.883 ( 0.000 -0.861 0.000) 0.861 1.887 ( -0.000 -0.715 0.000) 0.715 1.906 ( -0.000 -0.344 -0.000) 0.344 1.970 ( 0.000 -0.926 -0.000) 0.926 1.982 ( 0.000 0.306 -0.000) 0.306 1.987 ( 0.000 1.550 0.000) 1.550 2.026 ( 0.000 -1.568 -0.000) 1.568 2.074 ( 0.000 -0.224 0.000) 0.224 2.082 ( -0.000 0.086 -0.000) 0.086 2.088 ( 0.000 0.508 0.000) 0.508 2.123 ( 0.000 -0.977 -0.000) 0.977 2.135 ( 0.000 0.235 -0.000) 0.235 2.157 ( -0.000 -1.437 0.000) 1.437 2.202 ( 0.000 0.552 -0.000) 0.552 2.217 ( 0.000 0.241 0.000) 0.241 2.283 ( 0.000 2.480 -0.000) 2.480 2.308 ( 0.000 -0.133 -0.000) 0.133 2.320 ( -0.000 0.688 0.000) 0.688 2.341 ( 0.000 -0.698 -0.000) 0.698 2.377 ( -0.000 -1.174 0.000) 1.174 2.384 ( 0.000 -1.283 -0.000) 1.283 2.456 ( 0.000 -0.896 -0.000) 0.896 2.482 ( 0.000 -2.398 -0.000) 2.398 2.500 ( 0.000 -0.708 -0.000) 0.708 2.501 ( -0.000 -0.400 0.000) 0.400 2.577 ( -0.000 3.901 -0.000) 3.901 2.587 ( 0.000 1.648 0.000) 1.648 2.612 ( 0.000 -0.753 -0.000) 0.753 2.633 ( -0.000 -0.679 0.000) 0.679 2.698 ( 0.000 -2.112 0.000) 2.112 2.723 ( 0.000 1.226 -0.000) 1.226 2.754 ( -0.000 -0.860 -0.000) 0.860 2.787 ( 0.000 -2.055 0.000) 2.055 2.901 ( 0.000 1.266 0.000) 1.266 2.933 ( 0.000 3.632 -0.000) 3.632 2.937 ( 0.000 -0.146 0.000) 0.146 2.987 ( 0.000 2.990 -0.000) 2.990 3.092 ( 0.000 4.833 0.000) 4.833 3.135 ( 0.000 1.353 -0.000) 1.353 3.217 ( 0.000 -2.223 -0.000) 2.223 3.279 ( 0.000 -5.048 0.000) 5.048 3.466 ( 0.000 1.741 0.000) 1.741 3.552 ( 0.000 0.207 -0.000) 0.207 3.621 ( -0.000 -4.164 -0.000) 4.164 3.635 ( 0.000 -2.443 0.000) 2.443 ======================= Grid point 21 (13/40) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 0.000 -7.519 0.000) 7.519 0.614 ( 0.000 7.519 0.000) 7.519 0.705 ( 0.000 -7.474 0.000) 7.474 0.705 ( 0.000 7.474 0.000) 7.474 0.793 ( 0.000 -5.039 0.000) 5.039 0.793 ( 0.000 5.039 0.000) 5.039 0.855 ( 0.000 -2.308 0.000) 2.308 0.855 ( 0.000 2.308 0.000) 2.308 0.902 ( 0.000 -3.520 0.000) 3.520 0.902 ( 0.000 3.520 0.000) 3.520 0.919 ( 0.000 -0.647 0.000) 0.647 0.919 ( 0.000 0.647 0.000) 0.647 0.945 ( 0.000 -0.593 0.000) 0.593 0.945 ( 0.000 0.593 0.000) 0.593 0.984 ( 0.000 -3.111 0.000) 3.111 0.984 ( 0.000 3.111 0.000) 3.111 1.028 ( 0.000 -0.916 0.000) 0.916 1.028 ( 0.000 0.916 0.000) 0.916 1.057 ( 0.000 -1.073 0.000) 1.073 1.057 ( 0.000 1.073 0.000) 1.073 1.135 ( 0.000 -1.216 0.000) 1.216 1.135 ( 0.000 1.216 0.000) 1.216 1.165 ( 0.000 -1.327 0.000) 1.327 1.165 ( 0.000 1.327 0.000) 1.327 1.184 ( 0.000 -1.116 0.000) 1.116 1.184 ( 0.000 1.116 0.000) 1.116 1.233 ( 0.000 -0.638 0.000) 0.638 1.233 ( 0.000 0.638 0.000) 0.638 1.280 ( 0.000 -7.454 0.000) 7.454 1.280 ( 0.000 7.454 0.000) 7.454 1.336 ( 0.000 -0.402 0.000) 0.402 1.336 ( 0.000 0.402 0.000) 0.402 1.354 ( 0.000 -0.452 0.000) 0.452 1.354 ( 0.000 0.452 0.000) 0.452 1.368 ( 0.000 -1.898 0.000) 1.898 1.368 ( 0.000 1.898 0.000) 1.898 1.397 ( 0.000 -3.852 0.000) 3.852 1.397 ( 0.000 3.852 0.000) 3.852 1.423 ( 0.000 -3.130 0.000) 3.130 1.423 ( 0.000 3.130 0.000) 3.130 1.435 ( 0.000 -1.534 0.000) 1.534 1.435 ( 0.000 1.534 0.000) 1.534 1.499 ( 0.000 -0.882 0.000) 0.882 1.499 ( 0.000 0.882 0.000) 0.882 1.547 ( 0.000 -3.083 0.000) 3.083 1.547 ( 0.000 3.083 0.000) 3.083 1.572 ( 0.000 -0.017 0.000) 0.017 1.572 ( 0.000 0.017 0.000) 0.017 1.607 ( 0.000 -0.844 0.000) 0.844 1.607 ( 0.000 0.844 0.000) 0.844 1.637 ( 0.000 -0.813 0.000) 0.813 1.637 ( 0.000 0.813 0.000) 0.813 1.663 ( 0.000 -0.775 0.000) 0.775 1.663 ( 0.000 0.775 0.000) 0.775 1.710 ( 0.000 -1.817 0.000) 1.817 1.710 ( 0.000 1.817 0.000) 1.817 1.754 ( 0.000 -0.977 0.000) 0.977 1.754 ( 0.000 0.977 0.000) 0.977 1.814 ( 0.000 -1.230 0.000) 1.230 1.814 ( 0.000 1.230 0.000) 1.230 1.838 ( 0.000 -0.045 0.000) 0.045 1.838 ( 0.000 0.045 0.000) 0.045 1.858 ( 0.000 -0.060 0.000) 0.060 1.858 ( 0.000 0.060 0.000) 0.060 1.927 ( 0.000 -3.150 0.000) 3.150 1.927 ( 0.000 3.150 0.000) 3.150 1.945 ( 0.000 -0.708 0.000) 0.708 1.945 ( 0.000 0.708 0.000) 0.708 2.022 ( 0.000 -1.142 0.000) 1.142 2.022 ( 0.000 1.142 0.000) 1.142 2.101 ( 0.000 -2.421 0.000) 2.421 2.101 ( 0.000 2.421 0.000) 2.421 2.158 ( 0.000 -1.000 0.000) 1.000 2.158 ( 0.000 1.000 0.000) 1.000 2.202 ( 0.000 -0.588 0.000) 0.588 2.202 ( 0.000 0.588 0.000) 0.588 2.233 ( 0.000 -1.461 0.000) 1.461 2.233 ( 0.000 1.461 0.000) 1.461 2.252 ( 0.000 -1.607 0.000) 1.607 2.252 ( 0.000 1.607 0.000) 1.607 2.308 ( 0.000 -1.551 0.000) 1.551 2.308 ( 0.000 1.551 0.000) 1.551 2.382 ( 0.000 -1.782 0.000) 1.782 2.382 ( 0.000 1.782 0.000) 1.782 2.482 ( 0.000 -2.277 0.000) 2.277 2.482 ( 0.000 2.277 0.000) 2.277 2.515 ( 0.000 -1.194 0.000) 1.194 2.515 ( 0.000 1.194 0.000) 1.194 2.586 ( 0.000 -0.194 0.000) 0.194 2.586 ( 0.000 0.194 0.000) 0.194 2.641 ( 0.000 -0.586 0.000) 0.586 2.641 ( 0.000 0.586 0.000) 0.586 2.660 ( 0.000 -1.432 0.000) 1.432 2.660 ( 0.000 1.432 0.000) 1.432 2.719 ( 0.000 -0.611 0.000) 0.611 2.719 ( 0.000 0.611 0.000) 0.611 2.914 ( 0.000 -0.032 0.000) 0.032 2.914 ( 0.000 0.032 0.000) 0.032 2.977 ( 0.000 -0.440 0.000) 0.440 2.977 ( 0.000 0.440 0.000) 0.440 3.044 ( 0.000 -1.580 0.000) 1.580 3.044 ( 0.000 1.580 0.000) 1.580 3.410 ( 0.000 -2.568 0.000) 2.568 3.410 ( 0.000 2.568 0.000) 2.568 3.469 ( 0.000 -3.958 0.000) 3.958 3.469 ( 0.000 3.958 0.000) 3.958 3.728 ( 0.000 -1.286 0.000) 1.286 3.728 ( 0.000 1.286 0.000) 1.286 ======================= Grid point 23 (14/40) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 0.904 -3.278 0.634) 3.459 0.625 ( 0.904 3.278 0.634) 3.459 0.685 ( -1.615 -7.063 -1.428) 7.385 0.685 ( -1.615 7.063 -1.428) 7.385 0.767 ( -1.320 -4.596 0.876) 4.861 0.767 ( -1.320 4.596 0.876) 4.861 0.855 ( 0.245 -1.403 -0.061) 1.425 0.855 ( 0.245 1.403 -0.061) 1.425 0.897 ( -0.273 -2.993 -0.266) 3.017 0.897 ( -0.273 2.993 -0.266) 3.017 0.935 ( 0.877 -0.948 0.336) 1.334 0.935 ( 0.877 0.948 0.336) 1.334 0.961 ( -0.482 -0.845 -0.973) 1.376 0.961 ( -0.482 0.845 -0.973) 1.376 0.980 ( 0.369 -1.115 -0.604) 1.321 0.980 ( 0.369 1.115 -0.604) 1.321 1.027 ( -0.128 -1.500 1.242) 1.952 1.027 ( -0.128 1.500 1.242) 1.952 1.065 ( 0.638 -1.421 2.397) 2.859 1.065 ( 0.638 1.421 2.397) 2.859 1.106 ( -2.303 -1.372 -0.410) 2.711 1.106 ( -2.303 1.372 -0.410) 2.711 1.161 ( -0.190 -1.060 -0.378) 1.141 1.161 ( -0.190 1.060 -0.378) 1.141 1.186 ( 0.029 -2.629 0.357) 2.653 1.186 ( 0.029 2.629 0.357) 2.653 1.227 ( -0.430 -0.539 -0.437) 0.817 1.227 ( -0.430 0.539 -0.437) 0.817 1.272 ( -1.234 -2.794 -0.449) 3.087 1.272 ( -1.234 2.794 -0.449) 3.087 1.300 ( -1.081 -2.470 -0.128) 2.699 1.300 ( -1.081 2.470 -0.128) 2.699 1.327 ( -1.195 -1.364 -1.106) 2.124 1.327 ( -1.195 1.364 -1.106) 2.124 1.384 ( 0.369 -1.542 0.624) 1.704 1.384 ( 0.369 1.542 0.624) 1.704 1.419 ( 0.495 -2.847 0.262) 2.902 1.419 ( 0.495 2.847 0.262) 2.902 1.423 ( 0.544 -3.056 0.309) 3.119 1.423 ( 0.544 3.056 0.309) 3.119 1.450 ( 0.509 -1.167 -0.597) 1.406 1.450 ( 0.509 1.167 -0.597) 1.406 1.503 ( 0.113 -1.714 -0.001) 1.718 1.503 ( 0.113 1.714 -0.001) 1.718 1.531 ( -0.884 -1.035 1.068) 1.730 1.531 ( -0.884 1.035 1.068) 1.730 1.581 ( 0.055 -1.273 -0.642) 1.427 1.581 ( 0.055 1.273 -0.642) 1.427 1.611 ( -0.594 -0.783 -0.270) 1.019 1.611 ( -0.594 0.783 -0.270) 1.019 1.637 ( 0.664 -1.420 0.564) 1.666 1.637 ( 0.664 1.420 0.564) 1.666 1.662 ( 0.044 -0.233 0.867) 0.899 1.662 ( 0.044 0.233 0.867) 0.899 1.718 ( -2.411 -2.333 -0.759) 3.439 1.718 ( -2.411 2.333 -0.759) 3.439 1.741 ( 2.324 -0.928 0.219) 2.512 1.741 ( 2.324 0.928 0.219) 2.512 1.795 ( -0.572 -0.536 -0.512) 0.937 1.795 ( -0.572 0.536 -0.512) 0.937 1.842 ( -0.545 -0.363 -1.673) 1.796 1.842 ( -0.545 0.363 -1.673) 1.796 1.867 ( 0.510 -0.629 -0.444) 0.923 1.867 ( 0.510 0.629 -0.444) 0.923 1.920 ( -0.953 -1.376 0.361) 1.712 1.920 ( -0.953 1.376 0.361) 1.712 1.950 ( 0.945 -1.649 0.158) 1.907 1.950 ( 0.945 1.649 0.158) 1.907 2.020 ( -0.928 -1.245 -0.281) 1.578 2.020 ( -0.928 1.245 -0.281) 1.578 2.083 ( -0.418 -4.155 0.768) 4.246 2.083 ( -0.418 4.155 0.768) 4.246 2.134 ( -1.866 -1.889 0.094) 2.656 2.134 ( -1.866 1.889 0.094) 2.656 2.203 ( -1.328 -0.813 0.434) 1.617 2.203 ( -1.328 0.813 0.434) 1.617 2.230 ( -0.131 -0.857 0.390) 0.951 2.230 ( -0.131 0.857 0.390) 0.951 2.260 ( 1.383 -1.714 -0.622) 2.288 2.260 ( 1.383 1.714 -0.622) 2.288 2.303 ( -0.443 -0.733 1.097) 1.392 2.303 ( -0.443 0.733 1.097) 1.392 2.380 ( 0.087 -2.766 -0.922) 2.917 2.380 ( 0.087 2.766 -0.922) 2.917 2.477 ( -0.829 -1.508 0.176) 1.730 2.477 ( -0.829 1.508 0.176) 1.730 2.510 ( -0.600 -0.848 -0.020) 1.039 2.510 ( -0.600 0.848 -0.020) 1.039 2.561 ( -0.206 -2.090 -0.846) 2.264 2.561 ( -0.206 2.090 -0.846) 2.264 2.629 ( -1.129 -1.356 1.490) 2.310 2.629 ( -1.129 1.356 1.490) 2.310 2.710 ( 2.116 -1.153 0.255) 2.423 2.710 ( 2.116 1.153 0.255) 2.423 2.734 ( 1.705 -2.053 -0.821) 2.792 2.734 ( 1.705 2.053 -0.821) 2.792 2.925 ( 0.433 -2.467 1.025) 2.706 2.925 ( 0.433 2.467 1.025) 2.706 2.978 ( 0.701 -0.639 -0.481) 1.064 2.978 ( 0.701 0.639 -0.481) 1.064 3.062 ( 1.539 -1.057 0.456) 1.922 3.062 ( 1.539 1.057 0.456) 1.922 3.358 ( -3.117 -4.288 -7.055) 8.825 3.358 ( -3.117 4.288 -7.055) 8.825 3.495 ( 0.454 -0.855 7.300) 7.364 3.495 ( 0.454 0.855 7.300) 7.364 3.688 ( -3.380 -0.705 -1.420) 3.734 3.688 ( -3.380 0.705 -1.420) 3.734 ======================= Grid point 25 (15/40) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 0.433 -7.358 -1.118) 7.455 0.641 ( 0.433 7.358 -1.118) 7.455 0.660 ( -0.379 -3.675 0.959) 3.817 0.660 ( -0.379 3.675 0.959) 3.817 0.771 ( 1.561 -2.479 0.066) 2.930 0.771 ( 1.561 2.479 0.066) 2.930 0.857 ( -0.294 -1.590 0.972) 1.886 0.857 ( -0.294 1.590 0.972) 1.886 0.897 ( -0.451 -0.618 -2.358) 2.479 0.897 ( -0.451 0.618 -2.358) 2.479 0.925 ( -0.923 -0.290 0.248) 0.999 0.925 ( -0.923 0.290 0.248) 0.999 0.949 ( -0.643 -0.895 1.759) 2.076 0.949 ( -0.643 0.895 1.759) 2.076 0.980 ( 0.670 -2.452 -0.539) 2.599 0.980 ( 0.670 2.452 -0.539) 2.599 1.014 ( -1.921 -0.919 0.266) 2.146 1.014 ( -1.921 0.919 0.266) 2.146 1.065 ( -0.917 -0.762 -0.900) 1.494 1.065 ( -0.917 0.762 -0.900) 1.494 1.093 ( 0.797 -4.063 2.476) 4.824 1.093 ( 0.797 4.063 2.476) 4.824 1.146 ( -1.291 -0.506 -0.731) 1.568 1.146 ( -1.291 0.506 -0.731) 1.568 1.206 ( 0.867 -3.032 0.907) 3.281 1.206 ( 0.867 3.032 0.907) 3.281 1.216 ( -0.294 -1.159 0.082) 1.198 1.216 ( -0.294 1.159 0.082) 1.198 1.247 ( -0.618 -1.307 -0.365) 1.491 1.247 ( -0.618 1.307 -0.365) 1.491 1.285 ( 0.062 -1.596 0.039) 1.598 1.285 ( 0.062 1.596 0.039) 1.598 1.326 ( 0.678 -1.449 -0.532) 1.685 1.326 ( 0.678 1.449 -0.532) 1.685 1.379 ( -1.190 -1.524 -0.661) 2.043 1.379 ( -1.190 1.524 -0.661) 2.043 1.409 ( -1.540 -0.651 -0.733) 1.826 1.409 ( -1.540 0.651 -0.733) 1.826 1.425 ( -0.135 -0.957 -0.473) 1.076 1.425 ( -0.135 0.957 -0.473) 1.076 1.460 ( 1.297 -3.406 1.086) 3.803 1.460 ( 1.297 3.406 1.086) 3.803 1.501 ( 0.210 -0.849 -0.373) 0.951 1.501 ( 0.210 0.849 -0.373) 0.951 1.536 ( 0.407 -0.548 0.336) 0.760 1.536 ( 0.407 0.548 0.336) 0.760 1.568 ( -1.040 -1.603 -0.895) 2.110 1.568 ( -1.040 1.603 -0.895) 2.110 1.590 ( -1.010 -0.686 1.015) 1.588 1.590 ( -1.010 0.686 1.015) 1.588 1.621 ( -2.025 -1.386 -0.153) 2.458 1.621 ( -2.025 1.386 -0.153) 2.458 1.654 ( -0.998 -0.469 0.261) 1.134 1.654 ( -0.998 0.469 0.261) 1.134 1.715 ( 1.587 -1.013 0.560) 1.964 1.715 ( 1.587 1.013 0.560) 1.964 1.773 ( -0.338 -0.363 -1.192) 1.291 1.773 ( -0.338 0.363 -1.192) 1.291 1.803 ( 1.010 -1.424 -0.403) 1.791 1.803 ( 1.010 1.424 -0.403) 1.791 1.819 ( 0.734 -3.213 -0.797) 3.391 1.819 ( 0.734 3.213 -0.797) 3.391 1.869 ( -0.743 -0.562 0.444) 1.032 1.869 ( -0.743 0.562 0.444) 1.032 1.906 ( 0.401 -2.378 0.140) 2.416 1.906 ( 0.401 2.378 0.140) 2.416 1.967 ( -0.360 -1.214 0.051) 1.267 1.967 ( -0.360 1.214 0.051) 1.267 2.005 ( 0.488 -1.019 -0.819) 1.395 2.005 ( 0.488 1.019 -0.819) 1.395 2.074 ( -0.754 -3.225 0.584) 3.363 2.074 ( -0.754 3.225 0.584) 3.363 2.113 ( -0.841 -1.941 0.730) 2.238 2.113 ( -0.841 1.941 0.730) 2.238 2.167 ( -1.759 -0.218 0.811) 1.949 2.167 ( -1.759 0.218 0.811) 1.949 2.223 ( -0.481 -1.846 -1.000) 2.153 2.223 ( -0.481 1.846 -1.000) 2.153 2.294 ( 1.799 -2.015 -0.077) 2.703 2.294 ( 1.799 2.015 -0.077) 2.703 2.313 ( 1.110 -2.189 0.899) 2.614 2.313 ( 1.110 2.189 0.899) 2.614 2.379 ( -0.165 -2.909 -0.173) 2.919 2.379 ( -0.165 2.909 -0.173) 2.919 2.450 ( -1.570 -1.405 0.046) 2.107 2.450 ( -1.570 1.405 0.046) 2.107 2.498 ( -0.377 -0.449 -0.298) 0.658 2.498 ( -0.377 0.449 -0.298) 0.658 2.584 ( 2.142 -3.846 0.528) 4.433 2.584 ( 2.142 3.846 0.528) 4.433 2.622 ( 0.022 -2.710 0.382) 2.737 2.622 ( 0.022 2.710 0.382) 2.737 2.710 ( -0.808 -2.469 -1.079) 2.813 2.710 ( -0.808 2.469 -1.079) 2.813 2.758 ( -0.206 -1.971 1.094) 2.264 2.758 ( -0.206 1.971 1.094) 2.264 2.932 ( 0.240 -1.660 -1.919) 2.549 2.932 ( 0.240 1.660 -1.919) 2.549 2.992 ( 0.195 -1.906 0.853) 2.098 2.992 ( 0.195 1.906 0.853) 2.098 3.103 ( 2.668 -0.933 1.696) 3.296 3.103 ( 2.668 0.933 1.696) 3.296 3.269 ( -4.167 -5.457 -4.019) 7.956 3.269 ( -4.167 5.457 -4.019) 7.956 3.516 ( -0.149 -2.045 4.470) 4.918 3.516 ( -0.149 2.045 4.470) 4.918 3.620 ( -2.441 -0.824 -2.012) 3.269 3.620 ( -2.441 0.824 -2.012) 3.269 ======================= Grid point 27 (16/40) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 0.000 -1.634 0.000) 1.634 0.649 ( 0.000 1.634 0.000) 1.634 0.654 ( 0.000 -2.839 0.000) 2.839 0.654 ( 0.000 2.839 0.000) 2.839 0.809 ( 0.000 -4.010 0.000) 4.010 0.809 ( 0.000 4.010 0.000) 4.010 0.842 ( 0.000 -1.548 0.000) 1.548 0.842 ( 0.000 1.548 0.000) 1.548 0.879 ( 0.000 -2.406 0.000) 2.406 0.879 ( 0.000 2.406 0.000) 2.406 0.909 ( 0.000 -0.624 0.000) 0.624 0.909 ( 0.000 0.624 -0.000) 0.624 0.962 ( 0.000 -0.832 -0.000) 0.832 0.962 ( 0.000 0.832 0.000) 0.832 0.975 ( 0.000 -0.390 -0.000) 0.390 0.975 ( -0.000 0.390 -0.000) 0.390 1.007 ( 0.000 -0.616 0.000) 0.616 1.007 ( 0.000 0.616 0.000) 0.616 1.049 ( 0.000 -1.926 -0.000) 1.926 1.049 ( 0.000 1.926 0.000) 1.926 1.109 ( 0.000 -1.246 -0.000) 1.246 1.109 ( 0.000 1.246 -0.000) 1.246 1.121 ( 0.000 -1.648 0.000) 1.648 1.121 ( 0.000 1.648 0.000) 1.648 1.197 ( 0.000 -0.440 0.000) 0.440 1.197 ( 0.000 0.440 0.000) 0.440 1.212 ( 0.000 -0.988 -0.000) 0.988 1.212 ( 0.000 0.988 -0.000) 0.988 1.273 ( 0.000 -2.606 0.000) 2.606 1.273 ( 0.000 2.606 -0.000) 2.606 1.292 ( 0.000 -1.243 0.000) 1.243 1.292 ( 0.000 1.243 0.000) 1.243 1.332 ( 0.000 -0.660 -0.000) 0.660 1.332 ( 0.000 0.660 -0.000) 0.660 1.351 ( 0.000 -0.303 0.000) 0.303 1.351 ( 0.000 0.303 0.000) 0.303 1.385 ( 0.000 -0.087 0.000) 0.087 1.385 ( 0.000 0.087 0.000) 0.087 1.427 ( 0.000 -0.001 0.000) 0.001 1.427 ( 0.000 0.001 0.000) 0.001 1.485 ( 0.000 -2.228 -0.000) 2.228 1.485 ( 0.000 2.228 -0.000) 2.228 1.498 ( 0.000 -0.643 0.000) 0.643 1.498 ( 0.000 0.643 0.000) 0.643 1.531 ( 0.000 -0.432 -0.000) 0.432 1.531 ( 0.000 0.432 -0.000) 0.432 1.558 ( 0.000 -0.737 0.000) 0.737 1.558 ( 0.000 0.737 0.000) 0.737 1.587 ( 0.000 -0.037 0.000) 0.037 1.587 ( -0.000 0.037 0.000) 0.037 1.602 ( 0.000 -0.802 -0.000) 0.802 1.602 ( 0.000 0.802 -0.000) 0.802 1.637 ( 0.000 -0.012 0.000) 0.012 1.637 ( 0.000 0.012 -0.000) 0.012 1.734 ( 0.000 -0.648 -0.000) 0.648 1.734 ( 0.000 0.648 -0.000) 0.648 1.766 ( 0.000 -1.130 0.000) 1.130 1.766 ( 0.000 1.130 -0.000) 1.130 1.795 ( 0.000 -1.445 -0.000) 1.445 1.795 ( 0.000 1.445 0.000) 1.445 1.843 ( 0.000 -0.904 0.000) 0.904 1.843 ( 0.000 0.904 -0.000) 0.904 1.866 ( 0.000 -0.123 -0.000) 0.123 1.866 ( 0.000 0.123 -0.000) 0.123 1.918 ( 0.000 -0.747 0.000) 0.747 1.918 ( 0.000 0.747 -0.000) 0.747 1.950 ( 0.000 -1.068 0.000) 1.068 1.950 ( 0.000 1.068 0.000) 1.068 2.013 ( 0.000 -0.546 -0.000) 0.546 2.013 ( 0.000 0.546 -0.000) 0.546 2.077 ( 0.000 -0.034 0.000) 0.034 2.077 ( 0.000 0.034 0.000) 0.034 2.100 ( 0.000 -1.894 0.000) 1.894 2.100 ( 0.000 1.894 0.000) 1.894 2.144 ( 0.000 -0.021 0.000) 0.021 2.144 ( 0.000 0.021 0.000) 0.021 2.219 ( 0.000 -0.508 0.000) 0.508 2.219 ( 0.000 0.508 -0.000) 0.508 2.315 ( 0.000 -1.069 -0.000) 1.069 2.315 ( 0.000 1.069 -0.000) 1.069 2.328 ( 0.000 -1.182 -0.000) 1.182 2.328 ( 0.000 1.182 -0.000) 1.182 2.375 ( 0.000 -0.714 -0.000) 0.714 2.375 ( 0.000 0.714 0.000) 0.714 2.431 ( 0.000 -0.174 0.000) 0.174 2.431 ( 0.000 0.174 0.000) 0.174 2.496 ( 0.000 -0.263 0.000) 0.263 2.496 ( 0.000 0.263 -0.000) 0.263 2.617 ( 0.000 -1.117 0.000) 1.117 2.617 ( 0.000 1.117 0.000) 1.117 2.622 ( -0.000 -0.701 -0.000) 0.701 2.622 ( 0.000 0.701 -0.000) 0.701 2.699 ( 0.000 -3.398 -0.000) 3.398 2.699 ( 0.000 3.398 0.000) 3.398 2.749 ( -0.000 -1.649 0.000) 1.649 2.749 ( 0.000 1.649 -0.000) 1.649 2.924 ( 0.000 -0.966 0.000) 0.966 2.924 ( 0.000 0.966 -0.000) 0.966 2.995 ( 0.000 -2.171 0.000) 2.171 2.995 ( 0.000 2.171 0.000) 2.171 3.170 ( -0.000 -2.830 -0.000) 2.830 3.170 ( -0.000 2.830 -0.000) 2.830 3.186 ( 0.000 -3.853 0.000) 3.853 3.186 ( 0.000 3.853 0.000) 3.853 3.519 ( 0.000 -3.433 -0.000) 3.433 3.519 ( 0.000 3.433 0.000) 3.433 3.594 ( 0.000 -1.436 0.000) 1.436 3.594 ( 0.000 1.436 -0.000) 1.436 ======================= Grid point 49 (17/40) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.205 ( 5.390 0.000 10.023) 11.380 0.237 ( 1.777 0.000 11.169) 11.310 0.382 ( -2.715 0.000 -7.066) 7.570 0.392 ( -2.143 0.000 5.803) 6.186 0.496 ( -2.373 0.000 8.384) 8.714 0.805 ( 0.241 0.000 -7.628) 7.632 0.813 ( 0.993 0.000 2.397) 2.595 0.832 ( -0.575 0.000 0.477) 0.746 0.858 ( -0.352 0.000 -1.245) 1.294 0.858 ( -0.418 0.000 -1.206) 1.276 0.887 ( -0.035 0.000 0.381) 0.383 0.917 ( 1.626 0.000 -6.581) 6.779 1.010 ( 0.247 0.000 0.421) 0.488 1.012 ( 0.795 0.000 -0.444) 0.911 1.037 ( 0.591 0.000 -0.654) 0.882 1.043 ( 0.706 0.000 -1.259) 1.443 1.049 ( 1.066 0.000 0.589) 1.217 1.063 ( -0.453 0.000 -0.210) 0.500 1.074 ( -0.014 0.000 0.122) 0.123 1.078 ( -1.233 0.000 -1.955) 2.312 1.084 ( -0.973 0.000 0.981) 1.382 1.106 ( -0.207 0.000 -1.328) 1.344 1.125 ( 2.029 0.000 -0.466) 2.082 1.134 ( -0.581 0.000 -1.633) 1.733 1.163 ( 1.325 0.000 0.657) 1.479 1.166 ( -0.834 0.000 1.291) 1.537 1.203 ( -1.710 0.000 -2.802) 3.282 1.222 ( 0.477 0.000 -3.408) 3.441 1.314 ( 0.443 0.000 0.681) 0.812 1.326 ( -0.696 0.000 1.653) 1.793 1.330 ( -1.670 0.000 1.158) 2.032 1.341 ( 2.319 0.000 -0.945) 2.504 1.366 ( 0.267 0.000 -1.428) 1.453 1.372 ( -0.034 0.000 -0.120) 0.125 1.390 ( -1.615 0.000 1.132) 1.972 1.393 ( 0.230 0.000 0.828) 0.859 1.401 ( -0.361 0.000 0.875) 0.946 1.419 ( -0.062 0.000 -1.297) 1.299 1.439 ( -0.140 0.000 0.184) 0.231 1.443 ( -0.069 0.000 -0.239) 0.249 1.465 ( -0.288 0.000 1.140) 1.175 1.473 ( -1.585 0.000 1.168) 1.969 1.499 ( 1.355 0.000 -0.032) 1.355 1.501 ( -2.379 0.000 0.831) 2.520 1.513 ( 1.588 0.000 -0.219) 1.604 1.516 ( 0.105 0.000 -0.887) 0.893 1.539 ( -1.230 0.000 0.714) 1.422 1.543 ( 0.123 0.000 1.252) 1.258 1.574 ( 1.408 0.000 -2.213) 2.623 1.575 ( 0.288 0.000 -1.401) 1.430 1.613 ( 0.386 0.000 -0.108) 0.401 1.628 ( -2.446 0.000 -1.787) 3.029 1.644 ( 0.862 0.000 2.004) 2.182 1.683 ( -0.808 0.000 -1.038) 1.316 1.685 ( 0.406 0.000 3.188) 3.214 1.730 ( 1.125 0.000 5.437) 5.553 1.734 ( -0.870 0.000 -0.336) 0.933 1.744 ( 0.358 0.000 5.105) 5.117 1.769 ( -0.486 0.000 0.185) 0.520 1.786 ( -2.065 0.000 0.971) 2.282 1.787 ( 0.778 0.000 -3.509) 3.595 1.826 ( -0.817 0.000 4.550) 4.623 1.880 ( -0.884 0.000 -4.576) 4.660 1.916 ( -0.485 0.000 -1.121) 1.221 1.935 ( 1.150 0.000 3.019) 3.231 1.952 ( -0.226 0.000 -0.334) 0.404 1.972 ( 1.843 0.000 -0.255) 1.860 2.014 ( -0.812 0.000 -4.367) 4.442 2.064 ( 0.178 0.000 -0.450) 0.484 2.071 ( -0.631 0.000 -1.883) 1.986 2.169 ( -1.458 0.000 0.387) 1.508 2.171 ( 1.962 0.000 0.691) 2.080 2.278 ( -0.063 0.000 -0.287) 0.294 2.279 ( 0.196 0.000 -0.328) 0.382 2.306 ( 1.362 0.000 0.530) 1.462 2.327 ( -1.828 0.000 -1.596) 2.427 2.336 ( 1.444 0.000 0.747) 1.626 2.345 ( 0.202 0.000 0.132) 0.241 2.402 ( -0.611 0.000 0.650) 0.891 2.404 ( 2.888 0.000 1.345) 3.186 2.407 ( 0.494 0.000 -0.112) 0.507 2.418 ( -1.559 0.000 0.700) 1.709 2.420 ( -1.553 0.000 -0.008) 1.553 2.440 ( 1.915 0.000 -1.054) 2.186 2.443 ( -1.809 0.000 0.281) 1.831 2.458 ( 1.285 0.000 -1.278) 1.812 2.470 ( -0.529 0.000 1.319) 1.421 2.492 ( -2.051 0.000 -0.545) 2.122 2.580 ( 4.678 0.000 2.985) 5.549 2.592 ( -2.642 0.000 1.601) 3.089 2.602 ( 0.945 0.000 0.591) 1.115 2.658 ( -4.920 0.000 -2.916) 5.720 2.710 ( -0.620 0.000 1.445) 1.572 2.740 ( -6.264 0.000 -0.055) 6.264 2.750 ( 9.509 0.000 -0.542) 9.525 2.762 ( 4.224 0.000 -1.608) 4.520 2.812 ( -2.765 0.000 1.370) 3.085 2.833 ( 5.635 0.000 -0.370) 5.647 2.834 ( 0.217 0.000 -0.715) 0.747 2.836 ( -1.834 0.000 -0.916) 2.050 2.958 ( 5.763 0.000 2.697) 6.363 3.015 ( -4.852 0.000 -3.030) 5.720 3.081 ( -0.505 0.000 0.045) 0.507 3.082 ( 1.354 0.000 0.106) 1.358 3.529 ( -1.969 0.000 0.354) 2.001 3.547 ( 2.562 0.000 -1.611) 3.027 3.691 ( 1.179 0.000 4.850) 4.991 3.776 ( -2.906 0.000 -3.356) 4.439 ======================= Grid point 50 (18/40) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( 6.780 0.000 9.895) 11.995 0.390 ( 9.212 0.000 -0.971) 9.263 0.418 ( 6.878 0.000 0.448) 6.893 0.463 ( 6.865 0.000 -6.460) 9.427 0.586 ( 9.096 0.000 12.435) 15.407 0.792 ( 0.518 0.000 -4.004) 4.037 0.828 ( 1.524 0.000 0.734) 1.692 0.834 ( 0.909 0.000 -0.337) 0.970 0.860 ( 0.525 0.000 -0.218) 0.568 0.880 ( 2.385 0.000 -0.795) 2.514 0.914 ( 1.355 0.000 -0.011) 1.355 0.963 ( 1.504 0.000 -2.281) 2.732 0.992 ( -1.440 0.000 0.343) 1.480 1.005 ( -0.912 0.000 -8.382) 8.432 1.019 ( -0.010 0.000 -0.828) 0.828 1.024 ( -1.325 0.000 -0.632) 1.468 1.028 ( -2.602 0.000 -0.297) 2.619 1.046 ( -1.805 0.000 0.070) 1.806 1.069 ( 0.009 0.000 1.010) 1.010 1.070 ( -0.010 0.000 -0.448) 0.448 1.090 ( 0.529 0.000 0.888) 1.033 1.107 ( 0.090 0.000 -0.130) 0.158 1.139 ( 1.334 0.000 -2.854) 3.150 1.145 ( 0.662 0.000 -0.987) 1.189 1.164 ( -0.700 0.000 -2.579) 2.673 1.177 ( -0.331 0.000 0.695) 0.770 1.203 ( 3.118 0.000 1.639) 3.523 1.236 ( 1.908 0.000 -1.636) 2.514 1.291 ( -1.250 0.000 0.622) 1.396 1.315 ( -0.668 0.000 2.388) 2.480 1.331 ( -1.451 0.000 0.161) 1.460 1.345 ( -1.446 0.000 -1.165) 1.857 1.355 ( -0.784 0.000 -0.792) 1.115 1.373 ( -1.449 0.000 0.525) 1.541 1.387 ( -0.310 0.000 0.867) 0.921 1.388 ( 0.406 0.000 1.110) 1.181 1.410 ( 1.333 0.000 0.632) 1.475 1.421 ( -0.619 0.000 1.356) 1.490 1.426 ( 1.341 0.000 0.218) 1.358 1.458 ( 0.437 0.000 0.586) 0.731 1.460 ( 0.489 0.000 0.049) 0.492 1.477 ( 2.488 0.000 0.391) 2.519 1.503 ( 1.843 0.000 0.380) 1.881 1.519 ( 0.561 0.000 -0.485) 0.741 1.522 ( 0.790 0.000 -0.211) 0.818 1.529 ( 0.605 0.000 -0.300) 0.675 1.535 ( -0.867 0.000 -0.951) 1.287 1.554 ( 1.643 0.000 1.040) 1.944 1.599 ( 2.068 0.000 -0.163) 2.075 1.601 ( 1.259 0.000 -0.744) 1.462 1.627 ( 0.268 0.000 0.105) 0.288 1.646 ( 1.193 0.000 1.318) 1.778 1.660 ( 0.614 0.000 1.611) 1.724 1.662 ( -0.702 0.000 -1.562) 1.713 1.697 ( -1.385 0.000 -2.190) 2.591 1.699 ( 0.330 0.000 2.564) 2.585 1.742 ( -1.286 0.000 -0.105) 1.291 1.756 ( -0.812 0.000 6.922) 6.969 1.766 ( -0.235 0.000 0.504) 0.556 1.785 ( 0.250 0.000 -5.022) 5.028 1.795 ( 3.115 0.000 3.222) 4.482 1.846 ( 0.954 0.000 5.077) 5.166 1.854 ( -0.536 0.000 -0.524) 0.750 1.903 ( -0.609 0.000 -0.241) 0.655 1.940 ( -0.888 0.000 -1.844) 2.046 1.948 ( -0.493 0.000 1.962) 2.023 1.982 ( -0.703 0.000 -4.820) 4.871 1.986 ( -0.539 0.000 1.210) 1.325 2.041 ( -1.976 0.000 0.230) 1.989 2.069 ( 0.688 0.000 -0.585) 0.903 2.108 ( -4.126 0.000 -1.495) 4.388 2.169 ( -1.392 0.000 2.294) 2.683 2.233 ( -5.267 0.000 -2.227) 5.719 2.237 ( -3.109 0.000 -0.433) 3.139 2.278 ( -2.693 0.000 -0.906) 2.841 2.303 ( -4.667 0.000 -2.042) 5.094 2.303 ( -3.792 0.000 0.443) 3.818 2.311 ( -4.294 0.000 -0.168) 4.297 2.322 ( -2.399 0.000 -0.200) 2.408 2.334 ( 0.559 0.000 0.998) 1.144 2.387 ( -5.530 0.000 1.497) 5.729 2.400 ( -0.694 0.000 1.675) 1.813 2.409 ( -2.179 0.000 0.691) 2.286 2.439 ( 0.799 0.000 -0.495) 0.939 2.462 ( -1.104 0.000 -2.375) 2.619 2.471 ( 1.065 0.000 -0.446) 1.155 2.478 ( 0.458 0.000 0.507) 0.683 2.504 ( 0.699 0.000 0.882) 1.125 2.583 ( 1.185 0.000 0.842) 1.454 2.600 ( -1.214 0.000 0.173) 1.226 2.611 ( -0.027 0.000 -1.467) 1.467 2.623 ( 2.146 0.000 1.182) 2.450 2.666 ( -2.622 0.000 0.892) 2.770 2.686 ( 0.226 0.000 1.594) 1.610 2.761 ( -0.920 0.000 1.622) 1.865 2.763 ( -0.372 0.000 -2.197) 2.229 2.817 ( 0.605 0.000 1.133) 1.284 2.859 ( 3.351 0.000 0.146) 3.355 2.868 ( 2.456 0.000 -0.856) 2.601 2.934 ( -2.318 0.000 -2.408) 3.342 2.955 ( 1.626 0.000 -0.830) 1.826 3.106 ( 0.861 0.000 0.598) 1.049 3.110 ( 5.298 0.000 0.260) 5.305 3.158 ( 7.900 0.000 -8.242) 11.417 3.490 ( -1.927 0.000 -0.236) 1.942 3.598 ( 3.079 0.000 -1.593) 3.467 3.701 ( -3.014 0.000 1.504) 3.369 3.737 ( 1.244 0.000 3.942) 4.134 ======================= Grid point 51 (19/40) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 7.166 0.000 -4.573) 8.501 0.530 ( 6.122 0.000 9.066) 10.939 0.598 ( 8.676 0.000 -4.646) 9.842 0.613 ( 9.679 0.000 4.106) 10.514 0.735 ( -0.457 0.000 2.744) 2.782 0.792 ( 0.232 0.000 0.433) 0.491 0.845 ( -3.119 0.000 -0.570) 3.170 0.865 ( 0.821 0.000 -0.224) 0.851 0.884 ( -0.902 0.000 0.511) 1.037 0.910 ( 0.515 0.000 -3.735) 3.770 0.929 ( 0.066 0.000 -1.272) 1.274 0.947 ( -0.086 0.000 -1.548) 1.551 0.953 ( 3.827 0.000 0.249) 3.836 0.992 ( -0.054 0.000 -0.075) 0.092 1.005 ( -0.044 0.000 0.401) 0.403 1.012 ( 0.497 0.000 -2.252) 2.307 1.018 ( 0.053 0.000 -0.155) 0.164 1.027 ( 0.832 0.000 -0.990) 1.293 1.063 ( -0.190 0.000 0.713) 0.738 1.076 ( -0.326 0.000 -0.429) 0.539 1.107 ( 0.926 0.000 1.938) 2.148 1.117 ( 1.287 0.000 -2.333) 2.664 1.136 ( -0.627 0.000 -3.180) 3.242 1.153 ( 1.699 0.000 -0.412) 1.748 1.166 ( 1.264 0.000 -1.633) 2.065 1.198 ( 1.974 0.000 0.775) 2.120 1.221 ( -2.964 0.000 0.320) 2.981 1.270 ( 3.038 0.000 2.771) 4.112 1.274 ( -1.250 0.000 -1.685) 2.098 1.296 ( -1.553 0.000 0.879) 1.785 1.319 ( 1.088 0.000 -0.234) 1.113 1.334 ( -1.371 0.000 0.154) 1.380 1.334 ( 0.130 0.000 0.515) 0.531 1.340 ( -0.873 0.000 -0.143) 0.885 1.385 ( -2.635 0.000 0.186) 2.641 1.386 ( -0.218 0.000 -0.329) 0.395 1.395 ( 0.338 0.000 1.474) 1.512 1.431 ( -0.881 0.000 0.791) 1.183 1.447 ( 0.936 0.000 3.318) 3.448 1.457 ( -1.132 0.000 -0.373) 1.192 1.494 ( -3.037 0.000 -0.771) 3.133 1.502 ( 3.387 0.000 -1.872) 3.870 1.525 ( 2.203 0.000 -0.229) 2.215 1.528 ( 0.700 0.000 0.640) 0.948 1.544 ( 1.273 0.000 0.158) 1.283 1.558 ( 1.400 0.000 0.983) 1.711 1.568 ( 2.810 0.000 -0.850) 2.936 1.571 ( 0.689 0.000 1.518) 1.667 1.615 ( 0.587 0.000 -0.494) 0.767 1.617 ( 0.680 0.000 0.219) 0.715 1.619 ( -1.677 0.000 1.216) 2.072 1.644 ( -0.355 0.000 -0.148) 0.384 1.655 ( 0.654 0.000 -1.557) 1.689 1.664 ( -1.508 0.000 -1.963) 2.476 1.665 ( -1.061 0.000 -0.642) 1.240 1.698 ( -0.744 0.000 0.386) 0.838 1.743 ( -1.122 0.000 3.692) 3.858 1.766 ( 2.224 0.000 0.596) 2.302 1.773 ( 0.103 0.000 -1.801) 1.804 1.789 ( 0.873 0.000 -0.431) 0.973 1.841 ( -0.302 0.000 0.796) 0.851 1.846 ( -0.230 0.000 1.893) 1.907 1.882 ( 2.945 0.000 1.296) 3.217 1.883 ( -1.565 0.000 -0.564) 1.664 1.918 ( -0.498 0.000 -0.016) 0.498 1.952 ( -1.632 0.000 4.197) 4.503 1.975 ( 0.948 0.000 -1.805) 2.038 1.989 ( 2.093 0.000 2.330) 3.133 2.012 ( -0.917 0.000 1.160) 1.479 2.036 ( -1.900 0.000 -1.552) 2.453 2.082 ( 0.599 0.000 -1.129) 1.278 2.110 ( -4.900 0.000 -3.599) 6.080 2.122 ( -3.787 0.000 -0.645) 3.842 2.193 ( -1.373 0.000 1.273) 1.873 2.213 ( -3.416 0.000 -0.654) 3.478 2.225 ( -2.991 0.000 -0.527) 3.037 2.238 ( -2.372 0.000 -0.995) 2.572 2.257 ( -3.837 0.000 0.907) 3.942 2.263 ( -1.066 0.000 -0.852) 1.365 2.282 ( -4.764 0.000 -0.413) 4.782 2.325 ( -1.179 0.000 -0.774) 1.410 2.344 ( -1.710 0.000 -1.114) 2.041 2.399 ( 0.380 0.000 1.936) 1.973 2.458 ( 0.956 0.000 0.153) 0.969 2.466 ( 0.890 0.000 -1.190) 1.486 2.497 ( 0.946 0.000 0.703) 1.178 2.503 ( 1.218 0.000 0.529) 1.328 2.530 ( 0.930 0.000 2.029) 2.232 2.575 ( -0.898 0.000 0.178) 0.916 2.589 ( -0.420 0.000 -0.935) 1.025 2.624 ( 0.024 0.000 0.317) 0.318 2.635 ( -0.361 0.000 1.098) 1.156 2.640 ( -1.635 0.000 -1.069) 1.954 2.659 ( -0.354 0.000 -0.021) 0.354 2.737 ( -2.149 0.000 1.177) 2.451 2.742 ( -1.407 0.000 -2.559) 2.920 2.867 ( 1.676 0.000 0.403) 1.724 2.897 ( 1.978 0.000 2.708) 3.353 2.904 ( 1.554 0.000 -2.640) 3.064 2.938 ( 1.787 0.000 3.633) 4.049 2.977 ( 1.080 0.000 1.319) 1.705 3.123 ( 0.483 0.000 3.066) 3.103 3.153 ( 0.914 0.000 -10.297) 10.337 3.279 ( 5.644 0.000 -3.395) 6.586 3.472 ( 0.283 0.000 3.653) 3.664 3.648 ( 2.448 0.000 -1.980) 3.149 3.662 ( -2.070 0.000 3.353) 3.941 3.742 ( -1.259 0.000 -0.646) 1.415 ======================= Grid point 52 (20/40) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -7.956 0.000 2.195) 8.254 0.652 ( 6.712 0.000 -0.103) 6.713 0.664 ( 5.035 0.000 5.906) 7.760 0.718 ( -8.565 0.000 0.568) 8.584 0.750 ( 5.095 0.000 -0.702) 5.143 0.778 ( 3.815 0.000 0.668) 3.873 0.807 ( 0.971 0.000 -4.020) 4.136 0.825 ( -4.176 0.000 -3.744) 5.609 0.833 ( 0.773 0.000 0.913) 1.197 0.869 ( 0.149 0.000 -1.953) 1.959 0.941 ( -0.425 0.000 0.596) 0.732 0.964 ( -0.406 0.000 -0.827) 0.921 0.975 ( -1.041 0.000 -0.136) 1.050 0.986 ( -0.896 0.000 -1.733) 1.951 1.017 ( -0.760 0.000 0.912) 1.187 1.022 ( -0.440 0.000 -0.546) 0.701 1.024 ( -0.750 0.000 0.123) 0.760 1.042 ( 0.487 0.000 -1.096) 1.199 1.053 ( -0.141 0.000 0.002) 0.141 1.062 ( 0.846 0.000 -0.867) 1.211 1.110 ( -1.771 0.000 1.635) 2.410 1.143 ( 2.311 0.000 -1.326) 2.665 1.166 ( 1.889 0.000 -1.936) 2.705 1.172 ( -2.799 0.000 -2.116) 3.509 1.192 ( -1.958 0.000 0.193) 1.968 1.192 ( 1.674 0.000 0.418) 1.725 1.218 ( 2.545 0.000 0.683) 2.635 1.236 ( -4.985 0.000 -0.439) 5.004 1.279 ( 2.826 0.000 1.593) 3.244 1.294 ( 1.612 0.000 -0.890) 1.841 1.323 ( 0.047 0.000 -0.396) 0.399 1.329 ( 1.038 0.000 -1.107) 1.517 1.350 ( 0.393 0.000 1.013) 1.086 1.352 ( 1.099 0.000 0.943) 1.448 1.368 ( 0.846 0.000 1.402) 1.638 1.385 ( 0.428 0.000 -0.043) 0.430 1.399 ( -1.607 0.000 1.431) 2.152 1.427 ( 0.091 0.000 2.624) 2.625 1.431 ( 0.360 0.000 -1.028) 1.089 1.441 ( -1.440 0.000 2.216) 2.643 1.492 ( 1.063 0.000 2.885) 3.075 1.523 ( -0.515 0.000 0.513) 0.727 1.549 ( -0.567 0.000 -2.125) 2.199 1.551 ( -0.747 0.000 -0.428) 0.861 1.567 ( 2.468 0.000 -0.308) 2.487 1.569 ( -0.287 0.000 1.640) 1.665 1.585 ( -0.281 0.000 -1.256) 1.287 1.591 ( 0.221 0.000 -0.231) 0.320 1.596 ( -0.047 0.000 -0.568) 0.570 1.601 ( 0.284 0.000 0.712) 0.766 1.611 ( -1.339 0.000 -1.007) 1.675 1.633 ( -1.121 0.000 -1.115) 1.581 1.643 ( -0.422 0.000 -0.963) 1.052 1.648 ( 1.394 0.000 -2.494) 2.858 1.674 ( -1.828 0.000 -0.285) 1.850 1.688 ( 2.123 0.000 -1.135) 2.407 1.753 ( 0.676 0.000 0.971) 1.183 1.755 ( -2.093 0.000 2.813) 3.506 1.784 ( 0.090 0.000 3.061) 3.062 1.800 ( 1.544 0.000 -0.280) 1.569 1.840 ( -1.023 0.000 0.725) 1.254 1.845 ( -2.113 0.000 -0.032) 2.113 1.878 ( 3.590 0.000 -0.928) 3.708 1.897 ( -1.335 0.000 -2.285) 2.647 1.926 ( 0.776 0.000 2.044) 2.186 1.939 ( -0.873 0.000 0.576) 1.046 1.995 ( 0.717 0.000 1.198) 1.396 2.002 ( 0.079 0.000 -1.058) 1.061 2.003 ( -0.475 0.000 0.806) 0.936 2.020 ( -2.948 0.000 0.459) 2.984 2.069 ( 0.997 0.000 -0.476) 1.104 2.073 ( -0.454 0.000 -0.827) 0.944 2.106 ( 3.516 0.000 2.622) 4.386 2.160 ( -1.979 0.000 -2.170) 2.936 2.176 ( 1.043 0.000 1.566) 1.882 2.193 ( -0.808 0.000 0.144) 0.821 2.211 ( -1.355 0.000 -1.539) 2.050 2.214 ( 0.482 0.000 -1.157) 1.254 2.223 ( -0.226 0.000 1.041) 1.065 2.261 ( 1.084 0.000 -2.123) 2.384 2.304 ( -0.590 0.000 -0.044) 0.591 2.326 ( -0.178 0.000 -1.758) 1.767 2.420 ( 0.776 0.000 2.124) 2.261 2.457 ( -1.269 0.000 -1.690) 2.113 2.485 ( 1.759 0.000 0.983) 2.015 2.500 ( -1.368 0.000 -0.240) 1.389 2.515 ( 1.014 0.000 0.949) 1.389 2.529 ( -0.837 0.000 -0.355) 0.909 2.573 ( 0.421 0.000 1.434) 1.494 2.584 ( 0.076 0.000 -0.140) 0.159 2.610 ( -0.816 0.000 -0.237) 0.849 2.618 ( 0.029 0.000 -0.540) 0.541 2.656 ( 1.055 0.000 1.849) 2.128 2.687 ( 2.205 0.000 -0.066) 2.206 2.691 ( -2.264 0.000 0.057) 2.264 2.708 ( -0.579 0.000 -2.475) 2.542 2.866 ( -0.810 0.000 0.973) 1.266 2.909 ( -0.231 0.000 -2.742) 2.752 2.955 ( 0.924 0.000 5.671) 5.746 2.983 ( 1.874 0.000 2.600) 3.205 2.995 ( 0.148 0.000 0.754) 0.768 3.109 ( -2.103 0.000 -9.674) 9.900 3.145 ( 0.342 0.000 5.927) 5.937 3.314 ( 0.305 0.000 -10.002) 10.006 3.541 ( 4.135 0.000 9.047) 9.947 3.634 ( -1.908 0.000 3.935) 4.373 3.673 ( -0.319 0.000 -3.353) 3.368 3.693 ( -1.875 0.000 -3.045) 3.577 ======================= Grid point 53 (21/40) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( -10.213 0.000 2.639) 10.548 0.527 ( -11.288 0.000 2.016) 11.466 0.656 ( -6.892 0.000 1.204) 6.996 0.704 ( -5.294 0.000 -6.980) 8.761 0.749 ( 2.241 0.000 1.914) 2.947 0.765 ( -3.061 0.000 4.200) 5.197 0.821 ( -3.440 0.000 -2.815) 4.445 0.849 ( -1.948 0.000 2.148) 2.900 0.871 ( 1.882 0.000 -0.699) 2.008 0.889 ( -0.402 0.000 1.537) 1.588 0.896 ( 0.211 0.000 -0.730) 0.760 0.917 ( 5.051 0.000 -0.855) 5.123 0.986 ( 0.676 0.000 0.697) 0.972 0.988 ( 0.776 0.000 -0.414) 0.879 0.990 ( -0.590 0.000 -1.551) 1.660 1.002 ( -1.042 0.000 -0.023) 1.042 1.019 ( -1.546 0.000 -0.443) 1.608 1.027 ( -0.039 0.000 -0.818) 0.819 1.068 ( 1.055 0.000 0.028) 1.056 1.085 ( -0.117 0.000 0.494) 0.507 1.094 ( -0.066 0.000 1.863) 1.864 1.106 ( -0.510 0.000 -2.470) 2.522 1.153 ( -1.713 0.000 -2.332) 2.894 1.159 ( -1.338 0.000 -0.632) 1.479 1.161 ( -0.716 0.000 -1.712) 1.855 1.200 ( 2.163 0.000 0.469) 2.213 1.219 ( 1.479 0.000 0.280) 1.505 1.257 ( 1.906 0.000 2.578) 3.206 1.287 ( -2.471 0.000 -1.443) 2.862 1.323 ( -2.775 0.000 -2.157) 3.514 1.339 ( 0.327 0.000 -1.777) 1.807 1.346 ( -1.524 0.000 0.078) 1.526 1.364 ( 2.167 0.000 0.305) 2.188 1.373 ( 1.043 0.000 1.103) 1.518 1.375 ( -1.369 0.000 -3.074) 3.365 1.376 ( 2.475 0.000 1.041) 2.685 1.395 ( 2.198 0.000 -0.505) 2.255 1.429 ( 0.747 0.000 2.364) 2.479 1.442 ( 0.843 0.000 1.120) 1.402 1.447 ( -0.448 0.000 0.314) 0.547 1.484 ( -1.612 0.000 0.506) 1.689 1.501 ( -2.246 0.000 0.464) 2.293 1.513 ( -0.465 0.000 -0.643) 0.793 1.533 ( -1.604 0.000 0.978) 1.879 1.549 ( -2.005 0.000 0.548) 2.079 1.567 ( -1.157 0.000 -1.198) 1.665 1.576 ( -0.369 0.000 -0.374) 0.526 1.584 ( -0.217 0.000 -0.180) 0.282 1.602 ( 0.344 0.000 0.465) 0.579 1.618 ( 0.210 0.000 -0.823) 0.849 1.618 ( -0.656 0.000 0.412) 0.774 1.628 ( -1.021 0.000 1.065) 1.476 1.653 ( 1.179 0.000 0.339) 1.226 1.657 ( 0.894 0.000 0.033) 0.895 1.671 ( 3.242 0.000 -1.840) 3.728 1.706 ( 0.409 0.000 -0.236) 0.472 1.735 ( -2.150 0.000 0.919) 2.338 1.762 ( 1.321 0.000 -1.259) 1.825 1.790 ( -1.567 0.000 0.489) 1.642 1.794 ( -1.509 0.000 4.100) 4.369 1.830 ( 0.488 0.000 2.199) 2.253 1.834 ( 2.091 0.000 -1.989) 2.886 1.866 ( -4.002 0.000 3.270) 5.168 1.897 ( 0.185 0.000 -0.657) 0.683 1.919 ( 0.304 0.000 -1.728) 1.754 1.948 ( -2.645 0.000 0.514) 2.694 1.982 ( 2.692 0.000 1.983) 3.344 1.998 ( -0.459 0.000 1.674) 1.735 2.029 ( 3.415 0.000 2.736) 4.376 2.039 ( 1.409 0.000 -1.304) 1.920 2.068 ( -0.179 0.000 -2.405) 2.412 2.095 ( 2.768 0.000 1.005) 2.945 2.107 ( -1.538 0.000 -4.668) 4.915 2.202 ( 2.171 0.000 0.106) 2.174 2.213 ( 4.754 0.000 0.333) 4.766 2.229 ( 2.329 0.000 0.021) 2.329 2.231 ( 2.990 0.000 -0.288) 3.004 2.248 ( 4.406 0.000 1.193) 4.564 2.257 ( 3.066 0.000 -0.200) 3.072 2.287 ( 1.988 0.000 -1.720) 2.629 2.322 ( 2.728 0.000 0.569) 2.787 2.326 ( 0.893 0.000 -0.623) 1.088 2.431 ( -0.393 0.000 2.197) 2.232 2.435 ( 0.311 0.000 -1.359) 1.394 2.475 ( -1.123 0.000 -1.255) 1.684 2.498 ( -0.582 0.000 0.680) 0.895 2.509 ( -1.083 0.000 -0.460) 1.177 2.545 ( -1.481 0.000 2.300) 2.735 2.581 ( -0.162 0.000 -0.337) 0.374 2.585 ( 2.152 0.000 -1.583) 2.672 2.608 ( 0.648 0.000 1.947) 2.052 2.630 ( 0.922 0.000 -0.442) 1.022 2.656 ( 0.223 0.000 1.114) 1.136 2.663 ( -1.727 0.000 -1.364) 2.201 2.694 ( 1.131 0.000 0.485) 1.231 2.755 ( 2.716 0.000 -0.622) 2.786 2.850 ( -1.078 0.000 2.231) 2.478 2.881 ( -1.787 0.000 -1.719) 2.480 2.961 ( -1.771 0.000 4.993) 5.298 2.980 ( -1.714 0.000 -1.672) 2.394 3.018 ( 1.177 0.000 1.444) 1.863 3.026 ( -3.547 0.000 -6.776) 7.648 3.164 ( -0.597 0.000 6.204) 6.233 3.258 ( -2.650 0.000 -10.952) 11.268 3.593 ( -3.818 0.000 -6.674) 7.689 3.597 ( -1.730 0.000 3.288) 3.715 3.661 ( 3.977 0.000 7.854) 8.803 3.688 ( -0.204 0.000 0.005) 0.204 ======================= Grid point 54 (22/40) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.264 ( -10.102 0.000 4.563) 11.085 0.316 ( -10.608 0.000 6.007) 12.191 0.502 ( -9.349 0.000 6.058) 11.140 0.535 ( -9.308 0.000 -4.982) 10.557 0.591 ( -9.201 0.000 4.380) 10.191 0.773 ( 1.488 0.000 -1.110) 1.856 0.820 ( 0.939 0.000 0.351) 1.003 0.822 ( -0.420 0.000 -1.072) 1.151 0.875 ( -0.865 0.000 -1.314) 1.573 0.889 ( -1.350 0.000 0.616) 1.484 0.935 ( -2.355 0.000 -0.477) 2.403 0.945 ( -1.498 0.000 -5.204) 5.415 0.959 ( 2.878 0.000 0.253) 2.889 0.986 ( 1.886 0.000 -0.341) 1.916 1.022 ( 1.742 0.000 -0.677) 1.869 1.028 ( 1.117 0.000 -0.825) 1.389 1.029 ( 0.691 0.000 -0.662) 0.957 1.040 ( 2.949 0.000 0.134) 2.952 1.075 ( -0.245 0.000 -0.483) 0.542 1.083 ( 0.630 0.000 -0.401) 0.747 1.102 ( -0.185 0.000 2.058) 2.066 1.113 ( -1.199 0.000 -1.368) 1.819 1.127 ( 2.184 0.000 -0.605) 2.267 1.129 ( -1.051 0.000 -2.397) 2.617 1.150 ( -0.359 0.000 -1.542) 1.583 1.204 ( -1.903 0.000 -0.214) 1.915 1.232 ( -1.314 0.000 -2.243) 2.599 1.244 ( -2.675 0.000 -2.107) 3.405 1.286 ( 3.364 0.000 1.013) 3.513 1.296 ( 0.346 0.000 1.824) 1.856 1.330 ( 0.226 0.000 -1.328) 1.347 1.336 ( 0.304 0.000 0.898) 0.949 1.370 ( 0.776 0.000 -1.550) 1.733 1.383 ( 0.363 0.000 1.199) 1.253 1.396 ( 1.074 0.000 -0.221) 1.097 1.402 ( -0.841 0.000 0.191) 0.862 1.423 ( -1.289 0.000 0.927) 1.588 1.426 ( -1.090 0.000 0.771) 1.336 1.442 ( -1.741 0.000 0.627) 1.850 1.448 ( -0.056 0.000 -2.509) 2.509 1.461 ( 0.141 0.000 -0.212) 0.255 1.462 ( 1.390 0.000 3.065) 3.366 1.505 ( -1.230 0.000 0.043) 1.231 1.510 ( -0.434 0.000 0.244) 0.498 1.522 ( -2.060 0.000 -2.321) 3.103 1.549 ( -1.225 0.000 -0.439) 1.301 1.551 ( 1.111 0.000 -0.576) 1.251 1.572 ( -1.889 0.000 -1.217) 2.248 1.579 ( -1.972 0.000 0.756) 2.112 1.589 ( -2.242 0.000 0.743) 2.362 1.622 ( 0.150 0.000 2.413) 2.418 1.638 ( 0.385 0.000 0.241) 0.454 1.665 ( 0.189 0.000 0.011) 0.189 1.673 ( 0.169 0.000 -1.506) 1.516 1.697 ( -0.185 0.000 -1.493) 1.505 1.718 ( 1.221 0.000 0.052) 1.222 1.719 ( -0.021 0.000 1.148) 1.148 1.738 ( -2.860 0.000 4.420) 5.264 1.773 ( 1.637 0.000 -3.112) 3.516 1.809 ( -1.186 0.000 1.270) 1.738 1.811 ( -2.299 0.000 5.526) 5.986 1.844 ( -0.791 0.000 2.304) 2.436 1.894 ( 3.369 0.000 -1.902) 3.869 1.901 ( -0.111 0.000 -2.726) 2.729 1.910 ( 0.134 0.000 1.221) 1.228 1.933 ( 1.652 0.000 -0.317) 1.682 1.969 ( -1.680 0.000 0.304) 1.707 2.027 ( 1.071 0.000 -0.783) 1.326 2.056 ( 0.892 0.000 -1.022) 1.356 2.061 ( 2.337 0.000 0.860) 2.490 2.084 ( 1.550 0.000 -1.707) 2.306 2.156 ( 6.650 0.000 4.180) 7.855 2.158 ( 2.229 0.000 1.716) 2.813 2.258 ( 1.704 0.000 -1.491) 2.264 2.268 ( 2.984 0.000 1.253) 3.237 2.279 ( 3.142 0.000 -0.807) 3.244 2.302 ( 3.461 0.000 0.239) 3.469 2.322 ( 2.058 0.000 -0.564) 2.134 2.326 ( 4.776 0.000 -1.127) 4.907 2.338 ( 1.683 0.000 0.600) 1.787 2.376 ( 4.039 0.000 0.491) 4.069 2.402 ( 4.417 0.000 1.712) 4.737 2.420 ( -0.919 0.000 1.304) 1.595 2.446 ( -1.157 0.000 -1.398) 1.815 2.468 ( -2.189 0.000 -0.200) 2.199 2.472 ( 3.365 0.000 -2.846) 4.407 2.485 ( -0.577 0.000 -0.092) 0.584 2.508 ( -1.827 0.000 0.500) 1.894 2.584 ( -1.242 0.000 0.748) 1.450 2.590 ( -2.780 0.000 0.045) 2.780 2.595 ( -1.076 0.000 -0.130) 1.084 2.621 ( -0.400 0.000 3.054) 3.080 2.679 ( 3.256 0.000 -0.098) 3.257 2.688 ( 1.488 0.000 0.486) 1.565 2.720 ( 1.355 0.000 1.284) 1.867 2.782 ( 0.060 0.000 -0.262) 0.269 2.843 ( -1.390 0.000 -0.253) 1.413 2.844 ( -0.281 0.000 0.970) 1.010 2.908 ( -3.892 0.000 -5.619) 6.836 2.915 ( -4.352 0.000 3.452) 5.555 2.956 ( -2.806 0.000 -3.645) 4.600 3.043 ( 1.142 0.000 0.889) 1.447 3.132 ( -4.394 0.000 1.689) 4.708 3.153 ( -5.061 0.000 -6.643) 8.351 3.528 ( -0.493 0.000 -4.119) 4.148 3.565 ( -2.108 0.000 1.840) 2.799 3.680 ( -0.736 0.000 2.299) 2.414 3.757 ( 3.718 0.000 3.465) 5.083 ======================= Grid point 55 (23/40) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.289 ( -4.541 9.577 5.479) 11.932 0.368 ( 1.331 8.528 8.766) 12.302 0.428 ( 2.986 5.927 -7.121) 9.735 0.512 ( -2.656 8.599 -2.994) 9.485 0.617 ( 0.616 11.640 9.559) 15.075 0.785 ( 1.200 -1.106 -1.855) 2.470 0.819 ( 0.496 0.763 0.541) 1.059 0.843 ( 0.683 -0.271 -0.256) 0.778 0.849 ( -1.311 0.820 -0.947) 1.813 0.868 ( -1.025 0.266 -1.756) 2.051 0.900 ( 0.367 1.427 1.166) 1.879 0.934 ( 0.215 1.364 -2.586) 2.932 0.996 ( 0.292 -1.611 -0.523) 1.719 1.000 ( -0.040 -1.601 -0.698) 1.747 1.037 ( 0.410 -0.225 0.839) 0.960 1.045 ( 0.712 -1.617 0.243) 1.783 1.052 ( 0.834 -0.846 0.056) 1.190 1.056 ( 0.916 1.121 -0.146) 1.455 1.057 ( 0.130 -1.329 -0.425) 1.402 1.074 ( -1.389 -0.469 -0.283) 1.493 1.091 ( -1.573 -1.082 -1.873) 2.674 1.111 ( 0.783 -0.335 -2.261) 2.415 1.120 ( -0.644 1.224 -0.649) 1.528 1.143 ( 1.152 2.224 -2.882) 3.818 1.172 ( 0.039 1.279 -0.436) 1.352 1.183 ( 0.943 0.818 0.946) 1.567 1.204 ( -0.458 -0.171 -2.346) 2.397 1.225 ( -0.147 0.611 -2.087) 2.180 1.288 ( -0.010 -1.587 1.169) 1.971 1.298 ( -0.089 -2.223 1.173) 2.515 1.324 ( -0.743 -0.744 0.608) 1.215 1.341 ( -0.219 -1.379 0.911) 1.667 1.352 ( 1.713 0.317 -2.044) 2.686 1.362 ( -1.398 -1.680 0.348) 2.213 1.388 ( 0.239 0.627 1.477) 1.622 1.409 ( -1.439 -0.352 0.814) 1.691 1.416 ( -1.240 0.874 0.005) 1.517 1.417 ( 0.888 -0.066 0.286) 0.935 1.426 ( 0.028 0.021 0.536) 0.537 1.440 ( 0.311 -0.969 -0.195) 1.036 1.474 ( -1.465 0.319 2.024) 2.519 1.488 ( 0.776 -0.048 1.946) 2.096 1.496 ( 0.895 2.152 -0.065) 2.331 1.507 ( -1.792 1.157 1.104) 2.402 1.514 ( -0.493 0.111 0.146) 0.526 1.528 ( 0.476 0.579 -1.888) 2.031 1.534 ( 0.220 0.255 -1.486) 1.524 1.557 ( 0.850 -0.381 -1.372) 1.658 1.579 ( 1.104 1.980 2.490) 3.367 1.590 ( 1.725 0.887 -0.512) 2.006 1.596 ( -1.034 0.239 -1.004) 1.461 1.646 ( 0.287 0.345 -0.232) 0.505 1.659 ( -1.347 0.240 -1.102) 1.757 1.691 ( 1.481 0.944 1.333) 2.205 1.698 ( -0.658 -1.126 0.635) 1.450 1.713 ( 0.027 0.664 0.716) 0.977 1.726 ( -0.304 0.682 2.430) 2.543 1.757 ( 0.393 0.320 2.348) 2.402 1.773 ( -1.037 -0.520 -1.772) 2.118 1.779 ( -1.264 0.672 2.303) 2.711 1.796 ( -0.351 1.786 -1.329) 2.253 1.833 ( -0.425 0.119 3.961) 3.986 1.861 ( 0.074 -2.080 -1.832) 2.773 1.915 ( 0.142 -1.227 -0.345) 1.283 1.931 ( -0.504 -0.623 -2.637) 2.756 1.951 ( -0.227 -2.075 -1.785) 2.746 1.969 ( -1.589 -0.844 -0.951) 2.035 1.982 ( 1.351 -1.076 -1.197) 2.101 2.033 ( 1.756 -1.268 0.824) 2.317 2.055 ( -0.473 -1.034 -1.393) 1.798 2.158 ( -0.678 -2.199 -0.037) 2.302 2.162 ( 0.164 -0.379 -0.410) 0.581 2.225 ( 2.025 -3.276 1.378) 4.090 2.246 ( -1.164 -4.906 -0.774) 5.101 2.275 ( 0.098 -2.281 0.093) 2.285 2.281 ( 1.555 -1.877 0.573) 2.504 2.304 ( -0.329 -3.036 0.018) 3.054 2.312 ( -0.267 -2.867 -0.071) 2.880 2.339 ( 1.533 -0.955 0.768) 1.962 2.359 ( -1.164 -2.223 -0.404) 2.542 2.374 ( -3.585 -3.533 0.779) 5.093 2.397 ( 1.020 -1.283 -0.663) 1.768 2.425 ( 2.446 -2.428 2.106) 4.039 2.448 ( 1.012 1.315 0.148) 1.666 2.463 ( -2.810 -1.049 -0.027) 3.000 2.486 ( 2.126 -2.038 -0.806) 3.053 2.502 ( 1.255 -4.224 -0.524) 4.438 2.503 ( -2.382 -0.504 -0.642) 2.518 2.556 ( -2.415 3.176 0.059) 3.991 2.565 ( 2.791 2.257 -0.976) 3.719 2.627 ( 0.112 1.166 1.155) 1.645 2.639 ( -0.370 -1.029 0.420) 1.171 2.675 ( -1.404 -0.851 0.187) 1.653 2.686 ( 2.227 -0.907 -0.274) 2.420 2.744 ( 0.020 0.697 3.283) 3.356 2.771 ( 1.170 -2.460 0.751) 2.825 2.826 ( -3.648 2.768 -0.597) 4.618 2.847 ( 2.280 3.915 -2.321) 5.090 2.886 ( -0.858 3.827 1.964) 4.386 2.920 ( 0.520 3.366 -1.203) 3.612 2.996 ( 0.358 2.287 3.671) 4.340 3.049 ( 1.797 0.136 -0.549) 1.884 3.150 ( -3.036 5.475 -2.255) 6.654 3.191 ( 1.741 7.132 -8.646) 11.342 3.524 ( 0.369 -0.036 2.114) 2.147 3.566 ( 1.294 1.439 -1.940) 2.740 3.700 ( 0.107 0.649 3.739) 3.797 3.749 ( -1.493 -1.742 -0.543) 2.358 ======================= Grid point 56 (24/40) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.311 ( 6.219 0.032 6.379) 8.909 0.433 ( 4.091 4.913 6.100) 8.836 0.457 ( 0.958 5.178 -1.399) 5.449 0.535 ( 6.617 6.094 -6.086) 10.861 0.744 ( 5.632 7.679 2.992) 9.982 0.805 ( 0.506 0.867 -0.203) 1.024 0.830 ( 1.821 0.518 0.651) 2.003 0.843 ( 2.161 1.718 0.252) 2.772 0.868 ( 1.607 1.844 -0.091) 2.448 0.884 ( 1.504 0.039 -0.005) 1.504 0.921 ( 1.264 0.729 0.716) 1.625 0.951 ( 2.261 -0.501 -1.865) 2.973 0.977 ( -2.607 -0.617 -0.957) 2.845 0.995 ( -0.207 -1.805 -0.931) 2.041 1.013 ( -1.840 -0.653 -1.207) 2.295 1.023 ( -2.044 -0.161 -1.150) 2.350 1.026 ( -1.982 -0.401 -0.586) 2.105 1.048 ( 0.038 -0.159 1.000) 1.013 1.059 ( -1.462 -0.178 0.666) 1.616 1.072 ( 0.473 -0.989 -1.366) 1.751 1.084 ( 0.570 0.861 -0.039) 1.034 1.115 ( 1.151 0.733 -2.066) 2.476 1.150 ( -0.019 0.396 -2.551) 2.582 1.159 ( 1.808 -2.070 0.277) 2.763 1.165 ( 0.241 0.918 -1.009) 1.385 1.179 ( 0.063 2.117 -2.960) 3.640 1.205 ( -0.418 -0.040 -1.301) 1.368 1.220 ( 2.094 -0.806 1.320) 2.603 1.269 ( -1.890 -0.789 0.387) 2.084 1.296 ( -1.818 -2.298 1.279) 3.197 1.311 ( -0.082 -1.136 1.263) 1.701 1.343 ( -0.353 -2.330 -0.165) 2.362 1.349 ( -0.555 -1.363 -1.053) 1.810 1.365 ( -1.635 -0.527 1.118) 2.050 1.378 ( -1.099 -0.465 1.475) 1.897 1.382 ( 0.196 0.441 0.609) 0.777 1.399 ( -0.964 -1.149 0.949) 1.774 1.424 ( 0.225 0.311 0.164) 0.417 1.437 ( 0.101 -0.648 -0.455) 0.798 1.451 ( 0.991 0.776 0.773) 1.478 1.463 ( 1.285 1.032 0.500) 1.722 1.492 ( 0.320 -0.458 -0.198) 0.593 1.502 ( 0.112 -0.717 -0.031) 0.726 1.519 ( 1.911 0.860 1.101) 2.367 1.529 ( 0.078 0.548 0.011) 0.553 1.535 ( 0.238 2.551 0.130) 2.565 1.559 ( 2.213 1.038 -0.219) 2.454 1.561 ( 0.442 -1.018 -1.640) 1.980 1.597 ( 1.457 0.809 -0.938) 1.912 1.618 ( 0.060 1.089 -0.561) 1.227 1.630 ( 0.270 -0.623 -0.447) 0.813 1.643 ( 3.476 0.276 2.085) 4.063 1.659 ( -0.251 0.069 1.803) 1.822 1.671 ( -1.349 -0.357 -0.683) 1.554 1.684 ( -0.699 1.264 -1.505) 2.086 1.719 ( -1.063 -0.194 -1.579) 1.913 1.728 ( -0.827 -0.315 0.405) 0.973 1.748 ( 0.947 0.333 2.547) 2.738 1.759 ( -0.901 0.861 4.242) 4.421 1.778 ( 0.344 0.051 0.524) 0.629 1.821 ( 1.270 1.661 -1.794) 2.756 1.845 ( 0.770 -1.392 1.367) 2.097 1.864 ( 0.804 0.955 2.938) 3.192 1.893 ( -1.890 -2.068 0.541) 2.853 1.912 ( -0.589 -1.756 -0.110) 1.855 1.937 ( -0.968 -0.118 -1.480) 1.772 1.955 ( -0.235 -2.637 -1.422) 3.005 1.995 ( -1.065 -1.557 0.260) 1.905 2.008 ( -0.334 -0.799 -2.393) 2.545 2.067 ( 0.098 -0.257 0.252) 0.373 2.075 ( -3.690 -1.247 0.580) 3.938 2.173 ( -2.295 -0.751 0.407) 2.448 2.207 ( -2.073 -2.729 -2.090) 4.014 2.215 ( -4.504 -0.961 -0.892) 4.691 2.234 ( -1.645 -2.966 -0.278) 3.403 2.264 ( -2.375 -1.829 -0.400) 3.024 2.277 ( -3.463 -4.158 2.093) 5.802 2.284 ( -1.836 -2.430 0.236) 3.054 2.307 ( -0.978 -2.197 1.034) 2.617 2.327 ( -3.251 -2.044 -1.261) 4.041 2.354 ( -0.654 -1.471 0.432) 1.667 2.387 ( -1.323 -1.639 -1.047) 2.352 2.402 ( -2.613 1.265 0.754) 2.999 2.429 ( -0.393 0.790 -0.565) 1.047 2.455 ( -0.057 -0.793 -0.852) 1.165 2.464 ( -1.184 0.243 1.362) 1.821 2.492 ( 1.018 -1.065 -0.654) 1.612 2.528 ( -0.514 -1.596 0.072) 1.679 2.551 ( 0.732 -1.250 0.577) 1.559 2.613 ( 0.503 1.763 -0.527) 1.907 2.630 ( 1.244 0.484 -0.449) 1.409 2.651 ( 0.965 0.779 0.812) 1.483 2.664 ( -0.492 1.537 -0.237) 1.631 2.721 ( 1.990 -0.212 0.059) 2.002 2.751 ( -0.846 -1.938 1.107) 2.387 2.791 ( -0.349 1.100 -1.808) 2.145 2.820 ( 3.675 2.618 2.952) 5.392 2.843 ( 1.048 2.825 1.831) 3.526 2.911 ( -1.599 2.561 -2.180) 3.724 2.919 ( 1.399 2.978 -0.083) 3.291 3.072 ( -1.107 5.298 -0.694) 5.456 3.079 ( 4.139 -1.219 1.107) 4.454 3.117 ( 2.361 0.572 0.256) 2.443 3.214 ( 2.721 3.489 -7.195) 8.446 3.511 ( -1.798 2.011 -0.429) 2.731 3.595 ( 1.960 -0.205 -2.200) 2.954 3.682 ( -2.510 -1.637 2.822) 4.116 3.728 ( -0.508 -0.987 2.337) 2.587 ======================= Grid point 57 (25/40) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( 8.454 -3.327 1.715) 9.246 0.529 ( 8.937 -1.084 -1.294) 9.095 0.565 ( 5.992 3.122 6.828) 9.606 0.652 ( 6.835 4.084 -4.006) 8.913 0.756 ( -2.742 0.095 0.001) 2.744 0.805 ( -0.203 0.923 0.635) 1.139 0.845 ( -3.719 0.230 -0.310) 3.739 0.868 ( -1.688 -0.265 -0.797) 1.886 0.880 ( 0.023 -0.119 0.329) 0.350 0.915 ( 1.027 -0.218 -2.290) 2.519 0.944 ( -3.643 -0.106 -1.606) 3.983 0.952 ( 0.840 1.292 -0.961) 1.816 0.964 ( 1.746 0.554 -0.033) 1.832 0.990 ( 0.667 -1.026 -0.485) 1.316 0.996 ( 1.269 -0.194 -0.972) 1.610 1.006 ( -0.164 -0.388 1.500) 1.558 1.012 ( 1.522 -0.267 -1.108) 1.901 1.029 ( -0.300 -1.432 0.304) 1.494 1.061 ( -1.290 -0.472 -0.667) 1.527 1.078 ( 1.160 0.048 1.433) 1.844 1.087 ( -0.761 1.379 -0.038) 1.575 1.131 ( 1.336 1.173 -3.130) 3.599 1.143 ( 0.062 0.064 -0.995) 0.999 1.161 ( 0.705 -0.334 -1.054) 1.311 1.183 ( 1.285 -0.238 -0.011) 1.307 1.189 ( 1.193 -0.796 -0.832) 1.658 1.207 ( -2.922 -2.090 -0.109) 3.594 1.217 ( 0.688 0.010 0.244) 0.731 1.268 ( 1.455 -1.714 1.448) 2.674 1.282 ( 0.081 -1.693 0.847) 1.895 1.307 ( 0.089 -0.986 0.927) 1.356 1.322 ( -1.022 0.501 -0.591) 1.282 1.338 ( -0.627 -0.438 -0.144) 0.778 1.354 ( 1.490 0.294 0.370) 1.563 1.364 ( -0.512 -1.188 3.093) 3.353 1.381 ( -0.099 -0.281 -0.530) 0.608 1.398 ( -0.280 -0.591 0.819) 1.048 1.436 ( -1.326 -0.313 1.411) 1.961 1.444 ( 0.999 0.399 1.334) 1.714 1.459 ( 0.146 -0.993 -0.154) 1.015 1.481 ( -0.361 -0.583 -1.958) 2.074 1.507 ( 0.348 -0.679 0.405) 0.864 1.513 ( 0.733 -1.121 -1.977) 2.388 1.518 ( -0.676 0.031 -0.207) 0.707 1.531 ( 1.247 0.136 0.594) 1.387 1.548 ( 0.843 0.295 0.727) 1.151 1.571 ( 0.977 -0.587 -0.209) 1.158 1.583 ( -0.081 0.678 0.173) 0.704 1.591 ( -1.815 -1.454 -0.498) 2.378 1.625 ( -0.328 0.485 1.481) 1.592 1.633 ( 1.291 -0.166 -0.177) 1.314 1.649 ( -1.215 0.275 -1.775) 2.169 1.663 ( -0.664 -0.431 -0.512) 0.942 1.676 ( -0.715 0.267 -1.281) 1.491 1.691 ( 0.309 1.984 1.415) 2.456 1.698 ( 0.213 1.097 -0.253) 1.146 1.723 ( 0.453 -2.040 -0.380) 2.124 1.742 ( 0.219 0.307 2.002) 2.037 1.795 ( 0.440 0.226 2.002) 2.062 1.798 ( 2.423 1.550 0.884) 3.009 1.830 ( 0.116 -1.034 0.575) 1.189 1.852 ( 0.281 0.502 1.042) 1.190 1.857 ( -1.138 -1.477 -1.328) 2.289 1.889 ( 0.273 -0.353 0.751) 0.874 1.903 ( -0.630 -1.481 0.273) 1.632 1.919 ( -0.312 -2.042 -0.949) 2.273 1.941 ( -0.014 -1.466 0.296) 1.495 1.997 ( 1.141 -0.774 0.980) 1.691 2.015 ( 0.274 0.290 0.422) 0.581 2.031 ( -0.785 0.172 1.191) 1.437 2.067 ( -0.138 -0.361 0.358) 0.527 2.096 ( -3.636 -0.338 -3.583) 5.116 2.125 ( -3.384 -0.923 -0.134) 3.510 2.165 ( -1.641 -1.488 -0.245) 2.229 2.194 ( -1.886 -1.590 -0.395) 2.498 2.217 ( -3.775 -2.366 0.818) 4.530 2.223 ( -1.908 -0.388 -0.877) 2.135 2.246 ( -2.223 -1.222 -0.143) 2.541 2.264 ( -2.342 0.461 0.447) 2.428 2.283 ( -0.898 -0.603 -1.486) 1.838 2.326 ( -1.347 0.467 -0.814) 1.641 2.352 ( -0.791 -0.263 -0.268) 0.875 2.397 ( 0.456 -0.092 1.332) 1.411 2.425 ( 0.700 -1.373 -0.355) 1.582 2.454 ( -0.176 -1.006 -0.826) 1.314 2.481 ( 0.272 0.401 1.747) 1.813 2.505 ( 0.696 -2.058 -0.088) 2.175 2.520 ( 0.079 -0.573 0.200) 0.612 2.557 ( 0.392 -0.651 1.120) 1.353 2.588 ( -1.294 -1.065 -0.878) 1.892 2.640 ( -1.697 1.242 0.164) 2.109 2.660 ( 1.279 1.938 -0.693) 2.423 2.684 ( 1.246 1.434 0.747) 2.041 2.698 ( -2.907 2.412 -1.681) 4.135 2.752 ( -1.079 1.327 1.030) 1.997 2.777 ( -0.147 1.702 -0.277) 1.730 2.860 ( -0.300 0.885 -2.540) 2.707 2.900 ( 2.821 1.234 2.301) 3.844 2.923 ( 3.754 1.547 1.978) 4.516 2.932 ( 0.305 1.331 1.636) 2.131 3.040 ( -1.290 4.811 2.844) 5.735 3.127 ( 0.502 0.346 1.323) 1.457 3.157 ( 0.836 -0.111 -7.577) 7.623 3.265 ( 4.076 -1.337 -3.066) 5.273 3.480 ( -0.666 0.928 2.136) 2.422 3.624 ( 1.089 -2.033 -0.279) 2.323 3.654 ( -1.057 -1.135 1.624) 2.246 3.710 ( -1.756 -3.056 -0.800) 3.614 ======================= Grid point 58 (26/40) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -3.390 -0.800 1.148) 3.667 0.651 ( 3.331 -0.144 -2.035) 3.906 0.657 ( -2.978 0.694 5.578) 6.362 0.729 ( 3.266 -1.967 1.924) 4.271 0.752 ( 1.947 -0.603 -0.962) 2.254 0.767 ( 2.515 1.526 1.384) 3.251 0.800 ( -0.388 -0.192 -3.596) 3.622 0.820 ( -1.580 0.232 -2.720) 3.154 0.861 ( -1.220 1.163 -0.008) 1.686 0.880 ( 0.369 0.472 -1.254) 1.389 0.940 ( 0.044 -0.295 -0.216) 0.368 0.949 ( -1.094 -0.716 -0.711) 1.488 0.961 ( 0.098 -0.673 -0.173) 0.701 0.978 ( -2.608 -0.630 -1.581) 3.114 1.007 ( 0.025 -0.727 0.718) 1.022 1.013 ( -0.102 -2.940 0.828) 3.056 1.025 ( -0.523 -0.650 -1.169) 1.437 1.033 ( 1.267 -2.643 -1.141) 3.145 1.059 ( -0.881 1.118 -0.339) 1.463 1.067 ( 0.845 1.522 -1.359) 2.209 1.088 ( 0.957 0.436 0.791) 1.316 1.118 ( -1.522 -1.052 -2.639) 3.223 1.155 ( -0.280 -1.126 0.657) 1.333 1.166 ( 0.569 -0.944 -0.039) 1.103 1.171 ( 0.597 -1.755 -0.327) 1.882 1.180 ( -0.636 -1.198 -0.723) 1.537 1.237 ( 0.658 0.182 1.126) 1.317 1.248 ( -0.114 -1.433 0.603) 1.559 1.259 ( 0.119 1.659 1.149) 2.022 1.296 ( 0.541 -1.257 -0.444) 1.438 1.311 ( -1.734 0.444 -0.594) 1.886 1.336 ( 1.283 -0.226 -0.869) 1.566 1.344 ( 1.183 -0.912 0.809) 1.699 1.351 ( 0.130 0.022 1.223) 1.230 1.384 ( -0.161 1.229 1.312) 1.805 1.392 ( 0.897 0.118 1.010) 1.356 1.405 ( -0.580 -1.100 1.614) 2.037 1.413 ( 1.120 0.977 0.689) 1.639 1.432 ( -0.783 -0.287 0.398) 0.924 1.451 ( -0.536 -0.170 -0.507) 0.757 1.490 ( -0.374 -1.202 0.608) 1.398 1.492 ( -0.552 -1.673 0.828) 1.946 1.511 ( 0.676 -2.425 -0.899) 2.673 1.544 ( 0.526 -2.468 0.631) 2.601 1.548 ( -0.158 -0.684 -0.129) 0.714 1.559 ( 0.959 -0.928 -0.108) 1.338 1.570 ( -0.275 -0.344 -1.261) 1.336 1.577 ( -0.108 -0.784 -0.100) 0.798 1.590 ( 0.241 -0.867 0.298) 0.948 1.612 ( 0.899 0.934 0.704) 1.476 1.628 ( 0.247 1.157 -1.265) 1.732 1.632 ( -1.742 0.443 -1.246) 2.187 1.647 ( -0.666 0.160 -1.004) 1.216 1.662 ( 0.430 0.732 -1.087) 1.379 1.690 ( 0.192 2.083 0.861) 2.262 1.704 ( -0.170 1.613 0.077) 1.624 1.743 ( -0.146 -0.854 0.877) 1.233 1.762 ( 0.558 -3.092 1.648) 3.548 1.776 ( -1.375 1.585 2.088) 2.960 1.816 ( -0.634 0.824 1.050) 1.478 1.823 ( -0.254 -0.406 -0.313) 0.573 1.855 ( -0.207 -0.425 -0.588) 0.754 1.860 ( -0.100 -0.184 -0.693) 0.724 1.889 ( 1.051 -0.694 -2.422) 2.730 1.917 ( 1.169 -0.843 1.376) 1.992 1.936 ( 2.101 -0.111 1.047) 2.350 1.960 ( 0.166 -3.020 1.483) 3.369 1.982 ( -1.040 -0.964 0.175) 1.429 1.991 ( -2.385 -0.200 -0.532) 2.451 2.027 ( -0.533 0.397 -1.799) 1.918 2.061 ( 1.243 -0.048 0.597) 1.380 2.074 ( -0.969 -0.602 -0.322) 1.185 2.116 ( 1.613 0.585 2.127) 2.732 2.148 ( -0.503 -0.965 -0.828) 1.367 2.158 ( 0.192 -1.859 1.425) 2.350 2.184 ( 0.102 -1.196 -0.142) 1.209 2.192 ( -0.750 -1.066 -1.390) 1.906 2.204 ( -0.160 -0.034 -1.431) 1.441 2.239 ( -1.070 2.045 0.970) 2.504 2.277 ( 1.378 1.341 -2.358) 3.043 2.323 ( -0.662 0.232 0.478) 0.849 2.341 ( 0.092 0.117 -1.087) 1.098 2.410 ( 0.095 -1.196 1.538) 1.951 2.433 ( -0.312 -1.985 -0.134) 2.014 2.454 ( 0.572 -0.622 -0.145) 0.858 2.466 ( -0.231 -0.152 -0.644) 0.701 2.519 ( 0.725 -0.985 0.534) 1.335 2.531 ( -0.337 -0.870 -0.339) 0.993 2.554 ( -0.055 -0.638 2.075) 2.172 2.601 ( 0.309 -0.762 -1.109) 1.380 2.607 ( 0.754 0.154 0.055) 0.771 2.634 ( -1.941 0.610 -1.159) 2.341 2.684 ( -0.306 2.800 1.266) 3.088 2.712 ( 1.121 0.852 -1.396) 1.983 2.737 ( 0.691 3.574 1.067) 3.794 2.758 ( -1.187 3.742 -0.554) 3.964 2.863 ( 0.585 0.604 0.535) 0.997 2.896 ( -1.951 -0.259 -1.966) 2.782 2.960 ( 1.547 0.630 4.770) 5.054 3.013 ( 0.291 2.726 3.830) 4.710 3.030 ( 1.779 3.096 0.989) 3.705 3.104 ( -2.115 -0.402 -8.386) 8.658 3.146 ( -0.247 0.095 4.243) 4.251 3.301 ( 1.061 -1.623 -9.121) 9.325 3.522 ( 3.025 -1.649 7.976) 8.689 3.618 ( -1.876 -1.512 3.512) 4.259 3.648 ( -1.468 -2.656 -4.145) 5.137 3.668 ( -0.041 -2.145 -1.950) 2.899 ======================= Grid point 59 (27/40) ======================= q-point: (-0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( -9.984 0.578 2.403) 10.285 0.528 ( -8.592 0.920 4.089) 9.560 0.621 ( -8.395 -2.673 -1.871) 9.006 0.721 ( -0.914 0.363 -6.398) 6.473 0.753 ( -0.699 2.142 0.048) 2.253 0.803 ( 2.606 1.048 1.731) 3.299 0.841 ( -2.294 1.960 -0.323) 3.035 0.855 ( -2.225 1.570 2.173) 3.484 0.870 ( 1.719 -0.287 -0.842) 1.936 0.890 ( 2.897 0.214 -1.579) 3.306 0.916 ( -1.657 1.289 1.278) 2.458 0.925 ( 2.215 0.742 0.151) 2.341 0.964 ( 0.534 -0.950 -0.386) 1.156 0.985 ( 0.721 -0.423 1.054) 1.346 0.993 ( -0.722 -0.717 -0.613) 1.188 0.999 ( -0.670 -0.257 -0.132) 0.729 1.010 ( -1.184 0.070 -0.067) 1.188 1.043 ( 1.253 -0.827 0.127) 1.507 1.053 ( 0.334 -1.061 -1.509) 1.875 1.075 ( 0.940 -0.235 1.590) 1.862 1.103 ( 0.161 0.322 0.994) 1.057 1.112 ( 0.964 0.551 -1.599) 1.947 1.123 ( -2.325 -1.293 -1.856) 3.244 1.159 ( -0.517 -0.578 -0.810) 1.122 1.185 ( 0.381 -0.425 -0.563) 0.802 1.192 ( -0.158 -0.031 0.022) 0.162 1.204 ( 0.457 0.043 -0.199) 0.500 1.258 ( -0.504 -1.359 -2.186) 2.622 1.262 ( 0.453 -0.094 2.332) 2.377 1.288 ( -1.410 -2.615 0.659) 3.043 1.311 ( 1.690 -2.903 -0.414) 3.385 1.337 ( -0.041 -1.084 -0.698) 1.290 1.346 ( -1.276 -0.248 -0.758) 1.505 1.359 ( -0.803 -0.362 -0.300) 0.931 1.385 ( 1.602 0.025 -0.377) 1.646 1.392 ( -0.027 0.588 1.438) 1.554 1.415 ( 0.557 -0.313 0.090) 0.645 1.436 ( 0.728 -0.387 -0.374) 0.905 1.440 ( 0.744 0.024 0.793) 1.088 1.463 ( -0.195 0.517 0.213) 0.592 1.471 ( -0.350 -0.147 -0.218) 0.438 1.492 ( -1.012 -0.743 -0.515) 1.357 1.494 ( -0.854 -0.768 1.767) 2.108 1.515 ( -0.802 0.019 -0.644) 1.028 1.552 ( 0.018 -0.898 0.597) 1.079 1.559 ( -0.665 -1.468 -1.833) 2.441 1.574 ( -0.311 -0.325 0.076) 0.456 1.577 ( -1.040 0.034 -0.191) 1.058 1.592 ( 0.235 -0.107 0.408) 0.483 1.609 ( -0.638 -0.459 -0.036) 0.786 1.621 ( -1.479 -0.185 0.377) 1.538 1.636 ( -0.297 0.950 1.034) 1.436 1.661 ( 2.793 -0.894 0.264) 2.944 1.674 ( 1.007 0.559 -1.450) 1.852 1.697 ( -0.010 0.063 0.006) 0.064 1.704 ( 0.606 3.007 -0.024) 3.067 1.719 ( -1.278 -1.352 1.161) 2.193 1.764 ( 0.043 0.363 0.911) 0.982 1.791 ( 1.254 1.478 2.701) 3.325 1.800 ( -1.323 0.615 0.727) 1.631 1.812 ( 0.218 -0.010 -1.181) 1.201 1.851 ( 0.230 -0.942 -0.180) 0.986 1.869 ( -1.722 0.147 0.333) 1.760 1.892 ( 1.159 -2.161 0.208) 2.461 1.916 ( -0.946 -0.148 -1.157) 1.502 1.919 ( -2.139 1.277 1.598) 2.960 1.942 ( -0.425 -3.830 -1.822) 4.263 2.004 ( 1.419 -0.904 2.179) 2.753 2.006 ( 0.594 -0.772 1.384) 1.692 2.034 ( 2.698 -0.702 0.907) 2.932 2.054 ( -0.276 -0.260 -1.331) 1.384 2.103 ( 2.110 0.264 -0.265) 2.143 2.110 ( -0.765 0.020 -2.290) 2.414 2.176 ( 4.271 -3.225 -0.549) 5.380 2.188 ( 1.109 -0.519 -0.110) 1.229 2.206 ( 2.811 -1.611 0.875) 3.355 2.233 ( 3.238 -1.099 0.608) 3.473 2.239 ( 1.639 -0.022 -0.751) 1.803 2.246 ( 3.286 -0.651 1.094) 3.524 2.293 ( 1.014 -0.585 -1.933) 2.260 2.315 ( 0.502 -0.199 -0.116) 0.552 2.349 ( 1.405 0.767 0.278) 1.624 2.402 ( -1.263 -1.976 1.137) 2.606 2.430 ( 0.095 -0.688 -0.736) 1.012 2.454 ( 0.306 -0.013 -0.696) 0.761 2.492 ( 1.505 0.079 0.835) 1.723 2.507 ( -0.841 -1.961 -0.627) 2.223 2.543 ( -0.990 -1.547 -1.328) 2.267 2.562 ( 1.686 -1.271 1.652) 2.681 2.582 ( -1.348 -0.019 -0.908) 1.625 2.612 ( 0.810 2.114 1.293) 2.607 2.657 ( 0.414 1.693 0.070) 1.744 2.668 ( 0.970 1.773 0.720) 2.145 2.709 ( -0.955 0.663 -1.233) 1.695 2.753 ( -0.307 1.843 1.318) 2.287 2.772 ( 2.141 2.723 -0.495) 3.499 2.844 ( -2.547 -1.052 -0.609) 2.822 2.877 ( 0.011 3.141 1.826) 3.633 2.972 ( -2.775 1.977 0.073) 3.408 2.985 ( -1.423 0.600 3.083) 3.448 3.023 ( -2.015 0.256 -4.102) 4.577 3.095 ( 1.964 4.883 -0.893) 5.338 3.158 ( -0.018 -0.531 5.643) 5.668 3.270 ( -0.826 1.056 -10.751) 10.834 3.561 ( -3.510 -2.629 -2.962) 5.292 3.582 ( -0.481 -2.243 3.129) 3.880 3.640 ( 2.820 -1.390 3.965) 5.060 3.681 ( 0.890 -0.859 0.123) 1.243 ======================= Grid point 60 (28/40) ======================= q-point: (-0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.322 ( -2.317 8.168 6.138) 10.477 0.386 ( -6.461 4.049 3.602) 8.432 0.473 ( -5.446 0.838 -3.329) 6.438 0.626 ( -6.955 6.875 -3.085) 10.255 0.675 ( -6.036 6.527 1.766) 9.064 0.786 ( -1.570 1.841 2.723) 3.643 0.814 ( -0.803 0.307 1.177) 1.458 0.844 ( 0.408 1.139 -0.209) 1.228 0.876 ( -0.916 0.608 -1.367) 1.754 0.884 ( -0.661 -0.495 1.097) 1.373 0.929 ( -2.206 -0.279 0.323) 2.247 0.948 ( -0.409 0.758 -1.129) 1.420 0.976 ( 1.994 -0.796 -0.756) 2.276 0.987 ( 1.291 -0.511 -0.466) 1.465 1.006 ( 2.064 -0.011 -0.208) 2.075 1.009 ( 1.607 -0.421 -0.888) 1.884 1.030 ( 1.125 -0.600 -0.094) 1.278 1.047 ( -0.158 -1.465 0.081) 1.476 1.065 ( 0.780 -0.085 -0.530) 0.947 1.091 ( -0.724 -0.225 0.399) 0.857 1.093 ( 0.156 -0.357 -0.703) 0.804 1.116 ( 0.991 0.092 -0.750) 1.247 1.137 ( 0.600 1.126 -1.863) 2.258 1.143 ( 0.080 0.832 -0.274) 0.880 1.162 ( -0.272 1.501 -2.134) 2.623 1.192 ( -1.159 -1.146 -0.333) 1.664 1.204 ( -0.871 -1.711 -2.632) 3.257 1.249 ( -1.439 -0.158 -0.188) 1.460 1.263 ( 1.635 -0.802 0.447) 1.875 1.303 ( 1.090 -0.450 1.144) 1.643 1.318 ( 0.632 -1.603 -1.702) 2.422 1.324 ( 0.070 -1.754 0.166) 1.763 1.350 ( -0.345 -0.995 -0.446) 1.144 1.365 ( 2.060 -0.375 1.305) 2.468 1.394 ( -0.149 0.354 0.316) 0.497 1.413 ( -0.953 -1.241 0.787) 1.751 1.414 ( -1.471 -0.865 -0.460) 1.767 1.419 ( 0.230 -0.594 0.495) 0.807 1.437 ( 0.503 -0.463 -1.143) 1.332 1.454 ( -0.816 1.525 -0.164) 1.737 1.464 ( -0.174 -0.277 0.924) 0.981 1.485 ( 0.041 1.121 1.053) 1.538 1.492 ( 0.836 1.050 -0.886) 1.608 1.522 ( -0.618 0.078 0.884) 1.082 1.534 ( -2.251 0.294 -0.136) 2.274 1.549 ( -0.150 -0.624 -0.994) 1.183 1.554 ( -0.835 1.027 -1.466) 1.975 1.560 ( -1.530 -0.658 0.846) 1.868 1.578 ( -0.630 -0.181 1.639) 1.765 1.584 ( -1.505 -0.124 0.022) 1.510 1.603 ( -0.175 0.305 1.446) 1.488 1.648 ( 1.228 0.409 2.624) 2.926 1.655 ( -1.287 0.110 -0.597) 1.423 1.690 ( -0.435 -0.324 -1.154) 1.275 1.699 ( 0.323 0.241 0.356) 0.538 1.716 ( -0.527 -0.633 1.419) 1.640 1.722 ( 1.575 0.874 -2.361) 2.970 1.751 ( -1.735 2.244 0.859) 2.964 1.777 ( 0.247 0.354 -1.644) 1.699 1.806 ( -2.051 0.829 3.630) 4.251 1.833 ( -0.419 0.250 -0.325) 0.586 1.838 ( -0.925 0.272 3.983) 4.098 1.863 ( -1.114 -1.343 0.514) 1.819 1.894 ( 1.926 -1.752 -2.004) 3.286 1.923 ( 4.467 0.341 0.524) 4.511 1.929 ( 1.686 0.132 -1.516) 2.271 1.965 ( 2.489 -5.432 -0.571) 6.002 1.981 ( -2.029 0.165 -1.567) 2.569 2.017 ( -1.368 -0.778 -3.112) 3.487 2.045 ( 1.377 -0.994 1.703) 2.405 2.107 ( 1.836 0.462 -2.038) 2.782 2.137 ( 5.675 -0.905 3.699) 6.834 2.164 ( 3.135 -1.018 1.830) 3.770 2.209 ( 0.370 -2.382 0.015) 2.411 2.240 ( 2.057 -3.043 -1.165) 3.853 2.255 ( 2.386 -2.364 0.429) 3.386 2.279 ( 2.258 -1.603 0.503) 2.815 2.297 ( 3.345 -2.643 -0.038) 4.263 2.326 ( 3.017 -2.039 -0.110) 3.643 2.328 ( 2.077 -3.080 -1.194) 3.902 2.351 ( 2.458 -1.201 1.060) 2.934 2.364 ( 0.138 -2.451 -0.120) 2.458 2.401 ( 2.237 0.825 0.864) 2.536 2.432 ( 0.313 0.620 -0.673) 0.967 2.459 ( 0.237 -1.453 -0.741) 1.648 2.489 ( -1.209 -1.505 -0.415) 1.974 2.498 ( -0.651 0.869 -1.768) 2.075 2.531 ( 1.313 -0.154 0.518) 1.420 2.557 ( -1.550 -0.812 -0.454) 1.808 2.597 ( -1.758 1.907 0.809) 2.716 2.615 ( 2.022 -0.824 0.628) 2.272 2.653 ( -1.268 1.998 0.164) 2.372 2.669 ( -0.791 0.288 0.323) 0.902 2.712 ( -0.828 0.632 0.673) 1.241 2.741 ( -0.080 1.062 2.338) 2.569 2.771 ( -1.468 -3.615 -0.960) 4.018 2.829 ( 0.134 3.376 2.471) 4.186 2.865 ( -1.268 4.489 -0.414) 4.683 2.913 ( -2.360 0.309 -2.837) 3.703 2.933 ( -1.649 2.961 -0.687) 3.458 3.014 ( -0.946 2.480 3.757) 4.600 3.084 ( -3.420 -0.867 -0.118) 3.530 3.170 ( 0.755 6.254 -2.688) 6.849 3.221 ( -1.188 4.982 -8.036) 9.530 3.510 ( -0.471 -1.452 -0.609) 1.644 3.566 ( -0.881 -0.176 0.726) 1.155 3.686 ( 0.585 0.431 1.411) 1.587 3.728 ( 2.880 -2.131 3.140) 4.764 ======================= Grid point 61 (29/40) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( -2.346 9.688 4.073) 10.768 0.546 ( 0.634 9.092 1.876) 9.306 0.578 ( 2.399 8.895 -2.912) 9.662 0.665 ( -2.516 7.234 -4.835) 9.058 0.763 ( 0.400 -1.622 0.657) 1.795 0.794 ( 0.532 0.558 -1.179) 1.409 0.838 ( 1.546 0.059 0.785) 1.734 0.853 ( -1.131 -0.352 -0.653) 1.353 0.867 ( 0.513 4.389 1.553) 4.684 0.885 ( 0.229 1.337 -0.385) 1.410 0.928 ( 0.448 0.636 2.142) 2.279 0.952 ( -1.099 -1.258 -0.069) 1.672 0.957 ( -0.371 -1.582 -0.139) 1.631 0.969 ( 0.340 -1.715 -1.491) 2.298 0.987 ( 0.537 -2.449 0.398) 2.538 1.005 ( 0.113 -1.456 -1.584) 2.154 1.036 ( 0.366 -0.260 0.878) 0.986 1.038 ( -0.526 -0.847 0.717) 1.228 1.045 ( 1.773 -0.359 0.708) 1.942 1.087 ( 0.896 1.763 0.843) 2.150 1.093 ( -0.873 1.609 -2.480) 3.082 1.118 ( -0.311 1.357 -0.414) 1.453 1.153 ( 0.043 0.358 0.707) 0.794 1.166 ( -0.101 0.504 0.576) 0.772 1.179 ( -0.513 0.187 0.340) 0.643 1.189 ( -0.194 -1.329 -0.187) 1.356 1.216 ( 1.397 -0.228 -1.895) 2.366 1.223 ( 0.216 -1.013 -1.832) 2.105 1.249 ( -0.254 -0.339 0.322) 0.532 1.273 ( -0.568 -0.390 -1.804) 1.931 1.318 ( -0.779 2.256 2.136) 3.203 1.343 ( -2.098 0.645 -0.042) 2.195 1.346 ( 0.746 0.447 0.518) 1.013 1.363 ( 1.165 0.401 -0.969) 1.568 1.388 ( -0.070 -1.224 0.826) 1.478 1.399 ( 0.109 0.740 0.507) 0.903 1.410 ( -0.795 0.108 1.091) 1.354 1.419 ( 1.188 0.033 -0.613) 1.337 1.432 ( -2.218 0.377 0.696) 2.355 1.443 ( 0.508 -1.532 0.606) 1.724 1.475 ( 0.037 -1.616 1.190) 2.007 1.486 ( 0.072 -0.656 0.124) 0.672 1.494 ( -0.926 1.371 0.929) 1.897 1.508 ( -0.921 -1.272 -0.635) 1.694 1.514 ( 0.678 -0.605 0.833) 1.233 1.548 ( 0.784 0.941 -1.937) 2.291 1.551 ( 1.369 0.612 -0.221) 1.516 1.586 ( 0.814 1.051 -2.352) 2.702 1.589 ( -0.308 1.442 -0.435) 1.538 1.602 ( -0.148 0.066 -0.986) 1.000 1.632 ( 1.290 -0.130 1.704) 2.141 1.641 ( -1.194 -2.452 1.291) 3.017 1.644 ( -0.142 2.035 0.435) 2.086 1.663 ( 0.495 -1.058 -0.938) 1.498 1.697 ( 1.458 -1.289 1.769) 2.630 1.722 ( 0.413 -1.460 -1.851) 2.394 1.741 ( -0.194 -0.021 -1.111) 1.128 1.747 ( -2.037 0.161 -2.185) 2.992 1.776 ( -1.722 0.798 0.108) 1.901 1.787 ( 1.211 -0.550 0.464) 1.409 1.820 ( -1.113 1.379 1.984) 2.660 1.839 ( 0.798 1.838 2.777) 3.424 1.866 ( 0.177 0.922 -0.156) 0.952 1.880 ( 0.769 -0.045 0.449) 0.891 1.909 ( -0.719 -1.095 -0.686) 1.479 1.915 ( -1.639 -0.626 -2.137) 2.765 1.944 ( -0.320 -1.528 0.256) 1.582 1.972 ( 0.898 -0.237 -1.368) 1.654 2.037 ( 1.079 1.646 0.920) 2.173 2.051 ( -0.868 0.083 -0.182) 0.890 2.111 ( -2.385 -2.256 1.870) 3.779 2.148 ( 1.764 -1.800 -1.079) 2.742 2.180 ( 0.056 -1.668 0.145) 1.675 2.190 ( 1.432 -1.078 -1.354) 2.246 2.212 ( 1.154 -3.617 1.080) 3.947 2.229 ( -1.179 -4.632 -0.410) 4.797 2.255 ( -0.179 -1.579 0.546) 1.680 2.262 ( 0.683 -1.471 1.243) 2.043 2.274 ( -3.148 -3.598 -0.160) 4.783 2.284 ( 1.666 -4.113 -0.345) 4.451 2.334 ( 1.588 -0.668 0.359) 1.760 2.358 ( 0.034 -2.151 0.183) 2.159 2.381 ( -0.689 -1.912 1.328) 2.428 2.415 ( -0.391 -1.657 -0.479) 1.768 2.452 ( 0.016 0.352 0.793) 0.867 2.480 ( -0.289 0.987 -1.595) 1.898 2.491 ( 0.905 0.316 0.113) 0.965 2.516 ( -1.099 0.425 -2.255) 2.544 2.577 ( -2.753 0.074 -0.083) 2.755 2.587 ( 2.440 0.342 -0.830) 2.600 2.622 ( 0.228 -0.833 1.375) 1.624 2.645 ( 0.132 -0.492 -0.580) 0.772 2.662 ( 1.363 0.295 1.397) 1.974 2.695 ( -0.746 1.096 -1.220) 1.802 2.723 ( 2.960 -2.323 1.977) 4.251 2.747 ( -2.621 -0.889 0.467) 2.807 2.883 ( -0.988 3.269 0.806) 3.508 2.913 ( 0.475 2.757 -1.203) 3.045 2.967 ( 0.653 3.424 2.653) 4.381 2.985 ( 0.194 2.816 0.988) 2.990 3.021 ( -0.691 0.614 2.297) 2.476 3.049 ( 0.924 -0.105 -0.466) 1.040 3.239 ( -2.342 3.422 -4.439) 6.074 3.271 ( -0.118 1.881 -7.751) 7.977 3.535 ( 1.542 1.284 4.432) 4.865 3.585 ( 1.508 0.108 0.073) 1.513 3.707 ( -1.492 0.209 1.561) 2.170 3.728 ( 0.063 -0.556 -0.708) 0.902 ======================= Grid point 62 (30/40) ======================= q-point: ( 0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( -1.559 10.622 1.157) 10.798 0.558 ( 1.951 7.533 5.545) 9.556 0.597 ( -2.764 8.449 -1.041) 8.950 0.650 ( 4.542 4.953 -5.461) 8.659 0.781 ( 0.485 -0.953 0.088) 1.072 0.790 ( 0.376 -1.437 -0.284) 1.513 0.839 ( 0.793 0.194 -0.087) 0.821 0.859 ( -0.107 -2.775 -1.045) 2.967 0.871 ( 0.048 -0.445 -0.779) 0.898 0.920 ( 1.485 1.014 0.309) 1.825 0.939 ( -0.127 -2.448 -0.603) 2.524 0.948 ( -0.360 0.343 0.462) 0.679 0.963 ( -0.098 -0.279 -0.492) 0.574 0.977 ( 0.656 -1.536 0.392) 1.716 0.991 ( -0.553 0.174 -0.551) 0.800 1.000 ( 0.207 -3.342 0.169) 3.353 1.023 ( -0.519 -0.588 -0.673) 1.034 1.052 ( -0.440 3.179 -0.546) 3.255 1.069 ( 0.092 0.741 0.878) 1.152 1.079 ( -1.099 1.333 -1.021) 2.007 1.091 ( 1.514 -1.919 0.134) 2.448 1.108 ( 0.005 0.507 0.306) 0.592 1.152 ( -0.297 1.462 -0.575) 1.599 1.156 ( 0.523 0.904 1.028) 1.466 1.173 ( -0.303 1.083 -2.068) 2.354 1.184 ( -0.414 -0.887 -0.074) 0.981 1.217 ( 0.944 -1.616 0.263) 1.890 1.235 ( -0.120 1.751 -2.369) 2.948 1.247 ( -1.462 -0.973 0.732) 1.902 1.272 ( -1.187 -0.341 -0.418) 1.304 1.281 ( -0.492 -1.178 0.042) 1.277 1.299 ( -1.117 -0.714 1.558) 2.046 1.326 ( -3.058 0.360 0.440) 3.110 1.358 ( -0.855 -0.334 0.496) 1.044 1.378 ( -0.422 1.268 0.420) 1.401 1.386 ( -0.723 0.077 0.601) 0.943 1.398 ( 0.508 1.286 1.640) 2.145 1.418 ( 0.303 -0.756 0.643) 1.038 1.436 ( 0.743 0.324 -0.276) 0.856 1.449 ( -0.811 -1.047 1.630) 2.101 1.471 ( -0.234 -0.621 0.472) 0.815 1.491 ( -0.646 -0.842 -0.505) 1.176 1.495 ( -0.149 -0.273 -1.001) 1.048 1.506 ( 0.942 -0.376 -0.950) 1.389 1.532 ( 1.498 -0.024 -0.206) 1.512 1.555 ( -1.064 -0.270 -0.263) 1.128 1.570 ( 0.819 0.359 -0.198) 0.916 1.583 ( 0.038 -0.232 -0.995) 1.023 1.606 ( -0.101 -0.083 -1.136) 1.144 1.610 ( 1.383 -0.447 -1.070) 1.805 1.628 ( 0.288 0.820 1.547) 1.775 1.648 ( 0.198 -0.233 -1.278) 1.314 1.666 ( 0.622 0.942 -0.377) 1.190 1.677 ( 1.467 -1.480 1.880) 2.807 1.691 ( -1.607 -0.177 -0.975) 1.888 1.706 ( -1.345 -1.173 0.117) 1.788 1.736 ( 1.654 -1.037 0.920) 2.158 1.747 ( -0.421 1.300 -1.877) 2.322 1.756 ( 0.717 0.711 1.029) 1.442 1.797 ( -0.389 1.033 2.643) 2.864 1.812 ( -0.415 -0.049 2.023) 2.065 1.854 ( -0.953 -0.609 -0.328) 1.177 1.862 ( -1.357 0.704 -0.842) 1.746 1.887 ( 2.420 0.949 0.614) 2.671 1.899 ( 0.346 0.720 1.623) 1.809 1.920 ( 1.446 -0.028 -0.623) 1.574 1.947 ( 0.232 -0.644 -0.391) 0.789 1.968 ( -4.078 0.178 -0.742) 4.149 1.986 ( 0.076 -1.181 -1.638) 2.021 2.061 ( -1.859 -0.669 1.971) 2.790 2.077 ( 0.097 0.888 1.444) 1.698 2.137 ( -2.553 -3.193 -1.088) 4.230 2.160 ( -2.510 -2.524 0.258) 3.569 2.183 ( -1.374 -1.470 -0.520) 2.079 2.186 ( -2.178 -1.881 -1.625) 3.305 2.212 ( -0.014 -1.123 0.355) 1.178 2.239 ( -0.954 -1.652 0.361) 1.941 2.239 ( -0.626 -0.459 -0.182) 0.798 2.262 ( -1.280 -2.933 -0.051) 3.200 2.306 ( -2.393 -0.153 -0.955) 2.581 2.310 ( 1.003 -2.290 0.637) 2.580 2.360 ( -0.631 -1.801 -0.028) 1.909 2.382 ( -0.396 -2.177 1.954) 2.952 2.425 ( 1.673 -2.642 -0.728) 3.211 2.457 ( -1.470 1.128 -0.517) 1.924 2.463 ( 0.157 1.184 -0.523) 1.304 2.490 ( -0.567 1.170 -0.873) 1.566 2.506 ( 0.736 -1.262 0.849) 1.690 2.530 ( -1.513 -0.269 0.139) 1.543 2.622 ( -2.376 0.087 -0.492) 2.428 2.635 ( 1.644 -2.679 0.469) 3.178 2.646 ( 2.008 0.519 -1.174) 2.383 2.683 ( 0.786 -1.374 0.218) 1.598 2.698 ( 0.771 1.676 0.101) 1.847 2.734 ( 1.233 -0.751 0.151) 1.451 2.793 ( 2.340 -0.547 1.488) 2.827 2.877 ( 0.761 2.413 0.872) 2.676 2.917 ( -0.643 2.237 -0.908) 2.499 2.961 ( -1.909 3.483 -0.204) 3.977 2.993 ( 1.526 3.744 1.863) 4.452 3.059 ( 3.832 -0.240 0.579) 3.883 3.097 ( 2.482 -1.226 0.771) 2.874 3.183 ( -2.431 4.211 -0.162) 4.865 3.255 ( 0.148 0.641 -5.191) 5.233 3.554 ( -0.677 2.175 0.507) 2.334 3.595 ( -0.074 0.149 -3.592) 3.596 3.652 ( -3.652 -1.012 3.569) 5.205 3.699 ( -2.693 -1.887 0.674) 3.357 ======================= Grid point 63 (31/40) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 6.037 3.998 1.887) 7.483 0.585 ( 2.943 5.206 -2.302) 6.407 0.644 ( 4.033 4.660 4.489) 7.625 0.709 ( 2.550 0.160 -3.297) 4.171 0.759 ( -1.797 0.650 -0.537) 1.985 0.806 ( -0.498 -0.840 -0.052) 0.978 0.848 ( 0.346 -1.897 -1.076) 2.208 0.852 ( -2.008 -0.557 -0.746) 2.213 0.866 ( -2.658 -0.747 0.201) 2.769 0.901 ( 1.783 -1.773 0.382) 2.543 0.920 ( -1.445 -0.803 -1.214) 2.051 0.950 ( -1.412 -1.730 -0.107) 2.235 0.969 ( -0.383 -1.092 -0.289) 1.193 0.980 ( -0.192 0.729 -0.283) 0.805 0.983 ( 0.922 -1.344 -0.679) 1.766 0.986 ( -0.514 -1.222 -0.658) 1.480 0.998 ( -1.199 0.050 -1.112) 1.636 1.015 ( -1.080 0.588 0.720) 1.425 1.050 ( -2.006 -1.363 -2.020) 3.156 1.068 ( -0.853 0.032 -0.275) 0.897 1.094 ( 0.220 -0.573 0.253) 0.664 1.130 ( 0.658 -2.443 -0.316) 2.549 1.141 ( -1.639 -2.558 -1.551) 3.410 1.157 ( -1.467 -1.304 -0.658) 2.070 1.175 ( 0.278 2.387 -1.517) 2.842 1.195 ( 0.467 2.882 0.549) 2.971 1.205 ( 0.790 1.572 1.921) 2.605 1.236 ( 1.493 -0.558 1.757) 2.372 1.243 ( 0.292 0.927 -0.680) 1.187 1.270 ( 0.907 -2.122 0.202) 2.316 1.274 ( -0.282 -0.360 0.023) 0.457 1.303 ( 1.726 -0.735 -1.450) 2.371 1.320 ( 0.748 0.012 1.378) 1.568 1.352 ( 0.194 -0.174 1.008) 1.041 1.366 ( 0.303 -1.394 1.171) 1.845 1.381 ( -1.090 0.315 0.017) 1.134 1.402 ( -0.298 1.571 -0.005) 1.599 1.420 ( -1.799 -0.695 1.169) 2.255 1.446 ( 0.678 0.487 1.147) 1.418 1.453 ( 0.653 -1.331 0.577) 1.591 1.459 ( -0.373 -1.293 0.463) 1.423 1.480 ( -1.182 -1.694 -1.074) 2.328 1.484 ( 0.478 -0.596 0.520) 0.924 1.515 ( -0.576 -0.616 -0.976) 1.290 1.542 ( -2.341 -0.890 -0.713) 2.604 1.546 ( 1.219 0.131 -0.082) 1.229 1.558 ( 0.064 -0.438 -0.115) 0.458 1.577 ( -0.379 -0.296 -0.089) 0.489 1.605 ( -1.098 -0.967 -0.483) 1.540 1.608 ( -0.509 0.307 0.438) 0.738 1.624 ( -0.248 -0.031 0.777) 0.817 1.636 ( 0.735 -0.835 0.225) 1.135 1.665 ( -0.223 1.011 -0.751) 1.279 1.675 ( -0.537 -0.074 -1.800) 1.880 1.707 ( 0.701 -0.320 1.370) 1.572 1.710 ( 0.528 -1.467 -0.899) 1.800 1.730 ( -0.796 1.908 0.837) 2.230 1.766 ( -0.846 2.088 1.568) 2.745 1.773 ( 1.400 -1.285 0.790) 2.058 1.802 ( -0.402 0.172 2.955) 2.987 1.821 ( 2.451 1.286 1.468) 3.133 1.852 ( 0.659 -0.502 0.564) 1.002 1.857 ( 0.604 1.061 -1.227) 1.731 1.892 ( -1.207 -0.906 -0.214) 1.524 1.895 ( -0.919 0.775 0.905) 1.505 1.915 ( -0.331 0.355 -1.520) 1.596 1.936 ( 0.335 1.973 -1.362) 2.421 1.972 ( 1.176 -2.168 0.030) 2.466 1.995 ( 1.153 -0.870 1.031) 1.775 2.038 ( -1.081 -1.553 1.422) 2.367 2.063 ( -1.593 -0.745 -1.574) 2.360 2.086 ( -3.033 -1.251 -2.100) 3.895 2.108 ( -0.418 0.578 0.411) 0.823 2.160 ( -0.885 0.092 -0.365) 0.962 2.162 ( -0.709 -0.632 0.535) 1.090 2.180 ( -4.032 -1.139 0.130) 4.192 2.209 ( -0.710 -1.387 -0.417) 1.613 2.218 ( -1.510 -1.080 -0.627) 1.960 2.264 ( 1.837 -0.168 -1.033) 2.114 2.284 ( 0.184 1.051 0.349) 1.123 2.326 ( 0.249 0.145 0.473) 0.554 2.348 ( -0.504 0.033 -0.707) 0.869 2.387 ( -0.080 -2.355 1.635) 2.868 2.406 ( -1.425 0.182 -0.933) 1.713 2.451 ( -0.341 0.641 -0.234) 0.763 2.468 ( 1.622 -1.739 -0.523) 2.435 2.502 ( 0.478 -0.125 0.089) 0.502 2.506 ( -0.893 -1.486 0.060) 1.735 2.525 ( 0.963 0.059 0.464) 1.071 2.581 ( -0.566 0.956 -0.013) 1.111 2.663 ( -0.512 -0.871 -0.736) 1.250 2.673 ( 1.046 -2.194 -0.406) 2.464 2.692 ( 0.026 -0.248 1.068) 1.097 2.699 ( -0.820 1.146 0.753) 1.598 2.747 ( 0.061 -0.018 -0.350) 0.356 2.794 ( -1.393 -0.544 -1.115) 1.866 2.887 ( -0.216 1.508 -1.256) 1.975 2.938 ( 3.354 0.325 2.609) 4.261 2.960 ( 1.798 3.849 2.449) 4.903 3.010 ( -0.989 4.393 0.981) 4.609 3.117 ( -0.494 1.444 1.419) 2.084 3.138 ( 3.283 -1.211 -1.727) 3.902 3.144 ( -1.759 2.384 -0.016) 2.963 3.236 ( -0.677 -1.615 -3.046) 3.513 3.510 ( -2.254 2.201 -0.772) 3.244 3.586 ( 0.258 -1.561 -0.619) 1.698 3.622 ( -0.782 -1.945 1.110) 2.372 3.642 ( -3.152 -3.573 0.076) 4.766 ======================= Grid point 64 (32/40) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 0.935 0.828 1.319) 1.817 0.648 ( -2.379 -0.053 0.111) 2.382 0.666 ( 2.611 -0.998 0.280) 2.809 0.688 ( -1.591 -0.899 -0.069) 1.828 0.747 ( 0.267 1.281 0.878) 1.576 0.794 ( 1.307 1.166 -0.518) 1.827 0.816 ( 1.901 1.161 -3.031) 3.761 0.822 ( -2.118 0.159 -1.590) 2.653 0.875 ( 1.133 0.427 -0.332) 1.256 0.881 ( -0.564 0.073 -0.332) 0.659 0.923 ( 0.046 -1.546 0.650) 1.677 0.938 ( -0.391 -1.715 -1.017) 2.032 0.949 ( 0.645 -2.151 0.790) 2.380 0.960 ( -2.003 -0.456 -1.184) 2.372 0.974 ( -0.874 -1.077 -1.004) 1.712 0.990 ( -0.128 0.842 -1.073) 1.370 0.997 ( 0.773 -0.042 -0.547) 0.948 1.009 ( 0.424 -0.590 -0.511) 0.888 1.057 ( 2.476 -1.251 0.301) 2.791 1.067 ( -1.849 -1.989 -1.112) 2.935 1.076 ( 0.931 -0.962 0.657) 1.491 1.100 ( -1.730 -1.855 -1.209) 2.810 1.134 ( -0.358 -1.581 -0.136) 1.627 1.139 ( 0.300 -0.795 -0.126) 0.859 1.177 ( -1.309 1.767 0.401) 2.236 1.187 ( 1.036 1.799 -0.514) 2.139 1.228 ( 0.435 -0.143 1.232) 1.315 1.240 ( 0.498 -1.509 0.274) 1.613 1.260 ( 0.023 -0.312 -0.007) 0.313 1.271 ( 0.025 0.181 -0.418) 0.456 1.297 ( 0.196 -2.135 1.464) 2.596 1.325 ( -0.399 -0.587 0.581) 0.918 1.344 ( 1.868 -0.447 -0.115) 1.924 1.348 ( -1.057 0.069 -1.047) 1.490 1.367 ( -2.077 -1.710 0.385) 2.718 1.383 ( 0.090 -0.582 -0.182) 0.616 1.394 ( 1.088 -0.905 0.894) 1.674 1.409 ( -0.242 -0.362 -0.051) 0.438 1.440 ( 1.029 0.484 0.779) 1.379 1.446 ( -0.680 0.485 0.288) 0.883 1.463 ( 0.738 0.208 0.458) 0.894 1.480 ( -0.307 -2.560 1.430) 2.948 1.490 ( 0.436 -0.479 0.619) 0.896 1.496 ( -1.544 0.184 -0.278) 1.579 1.524 ( 2.085 -1.745 -1.045) 2.913 1.551 ( 0.492 0.115 -0.793) 0.940 1.562 ( -0.586 -0.961 -0.256) 1.154 1.567 ( -0.946 -0.167 -0.479) 1.073 1.583 ( -0.283 -0.157 2.398) 2.420 1.620 ( 0.348 -0.863 0.222) 0.957 1.627 ( -0.849 -0.250 1.014) 1.345 1.646 ( 0.312 -0.277 -0.386) 0.569 1.651 ( -0.204 -0.281 0.396) 0.527 1.667 ( -0.073 0.364 -1.846) 1.883 1.693 ( -0.738 -1.793 0.121) 1.942 1.713 ( 0.179 -0.408 -1.586) 1.648 1.744 ( -0.058 2.448 1.515) 2.879 1.760 ( 1.156 2.856 1.102) 3.272 1.791 ( -0.599 0.394 2.452) 2.554 1.812 ( 1.393 -0.799 1.539) 2.224 1.843 ( -0.604 2.739 -0.301) 2.821 1.858 ( -0.859 0.420 0.582) 1.119 1.867 ( -0.935 0.326 -1.480) 1.781 1.885 ( 0.111 -0.621 0.706) 0.947 1.900 ( 1.541 -1.957 0.901) 2.649 1.928 ( 2.042 1.281 -2.328) 3.351 1.941 ( 1.323 0.917 2.053) 2.609 1.970 ( -0.922 -0.820 -0.599) 1.371 1.989 ( -1.461 -0.903 -0.507) 1.791 2.009 ( -1.533 -1.277 -2.426) 3.141 2.053 ( -0.361 -1.494 -0.416) 1.592 2.066 ( 1.565 -1.095 -1.428) 2.385 2.105 ( -1.313 -1.039 1.415) 2.193 2.117 ( 0.137 -0.653 0.154) 0.684 2.151 ( -0.777 -0.927 -0.037) 1.210 2.153 ( 0.940 -0.173 -0.248) 0.987 2.196 ( 0.176 1.438 0.469) 1.523 2.214 ( 0.355 0.709 -0.726) 1.076 2.286 ( -1.508 2.658 0.406) 3.083 2.302 ( 1.452 1.150 -0.948) 2.081 2.318 ( -0.514 -0.090 0.174) 0.550 2.328 ( 0.319 -0.399 -0.731) 0.892 2.382 ( -0.808 -1.567 1.141) 2.100 2.401 ( 0.243 -1.254 0.042) 1.278 2.455 ( -0.049 -0.197 0.619) 0.652 2.480 ( 0.202 -0.328 -1.001) 1.073 2.494 ( 0.042 -1.761 0.173) 1.770 2.505 ( 0.122 -1.299 -0.467) 1.386 2.557 ( 1.552 1.704 0.600) 2.382 2.589 ( -2.607 0.390 -1.788) 3.185 2.620 ( 2.133 1.305 1.708) 3.028 2.641 ( -1.892 0.009 -0.185) 1.901 2.704 ( 0.008 -1.255 0.466) 1.339 2.717 ( -0.155 0.417 -0.667) 0.802 2.745 ( 0.952 -1.770 0.387) 2.047 2.770 ( -0.605 -2.362 -1.504) 2.865 2.915 ( 2.858 4.148 2.135) 5.471 2.948 ( -3.757 4.562 0.022) 5.910 2.989 ( 1.285 2.085 2.335) 3.384 3.043 ( 1.406 -0.308 6.716) 6.868 3.095 ( -2.029 0.998 -5.910) 6.328 3.097 ( -0.233 1.605 -0.371) 1.664 3.156 ( -0.621 1.134 0.850) 1.547 3.248 ( 3.081 -3.587 -5.853) 7.524 3.499 ( 0.246 -0.224 4.241) 4.254 3.577 ( -3.275 -3.380 -1.446) 4.924 3.595 ( 0.610 -1.313 0.315) 1.482 3.625 ( 1.166 -2.211 -1.177) 2.763 ======================= Grid point 65 (33/40) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( -3.983 6.967 2.220) 8.327 0.542 ( -5.514 2.447 -1.828) 6.303 0.640 ( -4.957 3.158 2.357) 6.332 0.737 ( 0.661 0.398 -2.933) 3.033 0.785 ( 2.399 -0.041 0.274) 2.415 0.786 ( 0.517 -1.329 -2.064) 2.509 0.838 ( -1.272 -1.966 0.610) 2.420 0.856 ( 0.057 0.071 -0.990) 0.994 0.880 ( 4.310 -0.346 -0.900) 4.416 0.902 ( 0.875 -0.989 -0.174) 1.332 0.925 ( -0.626 -0.005 -0.400) 0.743 0.937 ( 1.038 -0.327 -0.500) 1.198 0.960 ( 1.321 -1.162 0.684) 1.888 0.962 ( 0.400 -0.140 0.496) 0.653 0.977 ( 1.157 -0.389 -0.517) 1.326 0.980 ( 0.446 -1.643 -0.462) 1.764 1.003 ( -0.435 0.855 -0.431) 1.052 1.022 ( -1.033 -1.432 -0.281) 1.788 1.029 ( 1.198 -0.320 -0.449) 1.319 1.069 ( 1.446 -2.110 -0.069) 2.559 1.082 ( -0.307 -0.787 0.093) 0.850 1.112 ( -0.669 -0.627 0.992) 1.351 1.137 ( 0.788 -1.407 -0.582) 1.715 1.149 ( -0.905 1.083 0.123) 1.417 1.164 ( 1.860 1.560 -0.151) 2.432 1.208 ( 0.760 1.037 -0.313) 1.324 1.236 ( -0.083 -1.126 -0.577) 1.268 1.249 ( -1.647 1.427 0.091) 2.181 1.254 ( -0.771 -0.989 -0.198) 1.269 1.259 ( 0.173 -0.963 1.348) 1.666 1.272 ( -1.346 2.311 -0.698) 2.764 1.287 ( -1.840 -3.906 -0.422) 4.338 1.334 ( 0.586 -0.219 1.360) 1.497 1.346 ( -0.302 -0.101 -0.908) 0.962 1.383 ( 0.885 -0.741 0.580) 1.292 1.390 ( 1.065 -0.356 0.893) 1.435 1.401 ( 0.774 -0.661 -0.415) 1.100 1.406 ( -0.344 -1.451 1.142) 1.878 1.438 ( 0.630 0.201 -0.133) 0.675 1.473 ( 0.107 0.612 -1.001) 1.178 1.476 ( 0.726 -0.901 -0.733) 1.369 1.487 ( -0.467 -1.040 1.905) 2.221 1.501 ( 2.084 0.414 0.189) 2.133 1.510 ( -0.054 -0.246 -1.387) 1.410 1.527 ( 0.006 -1.058 0.041) 1.059 1.533 ( -0.958 -0.451 -0.553) 1.195 1.548 ( -0.704 -1.549 2.023) 2.643 1.587 ( 0.343 -1.301 0.135) 1.352 1.597 ( -0.562 1.015 -0.746) 1.379 1.604 ( 0.342 0.052 0.835) 0.904 1.624 ( -0.813 0.208 -0.025) 0.840 1.637 ( 0.453 0.846 -1.736) 1.983 1.663 ( -0.346 1.185 0.129) 1.241 1.671 ( 3.015 -0.746 -0.292) 3.119 1.684 ( -0.641 -1.934 1.846) 2.749 1.707 ( -1.179 -0.454 -0.192) 1.278 1.748 ( 0.112 0.921 0.562) 1.084 1.775 ( 0.568 1.631 0.449) 1.784 1.809 ( 0.120 0.039 -0.018) 0.127 1.818 ( 0.245 0.257 -0.020) 0.356 1.835 ( 0.419 0.439 0.540) 0.812 1.839 ( 0.065 2.979 2.875) 4.140 1.865 ( -1.646 -0.684 -1.723) 2.479 1.875 ( -0.028 -0.772 -0.234) 0.807 1.888 ( -1.641 -0.580 -0.265) 1.760 1.935 ( -0.223 -0.132 -1.468) 1.491 1.945 ( -0.385 2.342 -1.709) 2.925 1.978 ( 0.504 -0.640 1.286) 1.522 1.989 ( -0.961 -0.803 0.213) 1.270 2.019 ( 3.259 -0.772 1.752) 3.779 2.039 ( 0.102 -1.629 0.611) 1.742 2.089 ( 1.319 -2.194 -2.369) 3.488 2.109 ( 1.988 0.172 0.352) 2.027 2.142 ( 0.889 -0.248 0.590) 1.096 2.170 ( 2.611 -2.077 0.299) 3.350 2.191 ( 0.953 -0.610 0.322) 1.176 2.202 ( 2.431 -1.124 -1.375) 3.010 2.220 ( 0.306 -0.052 -0.161) 0.350 2.252 ( -1.262 1.230 -0.286) 1.785 2.286 ( -0.843 0.235 0.130) 0.885 2.326 ( -1.007 0.239 0.894) 1.368 2.335 ( 0.567 -0.706 -0.438) 1.006 2.373 ( -0.231 -0.805 1.301) 1.547 2.424 ( 2.347 -1.017 -0.782) 2.674 2.449 ( -0.086 -0.725 -0.066) 0.733 2.476 ( -0.473 -0.629 -1.126) 1.374 2.504 ( -0.176 0.531 -0.212) 0.598 2.507 ( -0.329 -2.058 0.211) 2.095 2.531 ( 1.527 -0.922 0.093) 1.786 2.583 ( -1.625 0.762 -0.384) 1.835 2.635 ( -0.359 -0.936 1.029) 1.437 2.672 ( 0.507 -1.736 0.439) 1.861 2.688 ( 0.764 1.157 0.525) 1.483 2.715 ( 0.811 1.144 -0.226) 1.421 2.758 ( -1.023 -1.334 -1.165) 2.045 2.766 ( 0.530 -0.240 1.048) 1.198 2.882 ( -2.106 3.107 -0.582) 3.798 2.963 ( -0.642 3.356 1.177) 3.614 2.991 ( -2.722 0.540 1.011) 2.954 3.018 ( -0.629 1.715 2.178) 2.842 3.042 ( -0.545 1.594 -2.057) 2.659 3.120 ( -2.069 -1.688 2.290) 3.518 3.199 ( 5.422 4.372 0.531) 6.985 3.289 ( 3.107 0.577 -9.335) 9.855 3.507 ( -2.306 -2.534 -0.110) 3.428 3.524 ( -0.347 -3.087 4.510) 5.476 3.626 ( 2.788 -0.126 0.019) 2.791 3.658 ( 2.230 -1.414 -0.351) 2.664 ======================= Grid point 66 (34/40) ======================= q-point: (-0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 0.745 7.518 -2.184) 7.864 0.521 ( 1.234 10.770 3.963) 11.542 0.558 ( -2.710 6.554 2.051) 7.383 0.720 ( -0.295 4.379 -7.794) 8.945 0.757 ( -1.587 0.558 1.075) 1.996 0.813 ( -0.601 -0.922 1.117) 1.568 0.828 ( -1.618 -2.001 0.221) 2.583 0.853 ( 1.577 -0.697 -1.885) 2.554 0.874 ( -1.490 1.365 -0.788) 2.168 0.912 ( -2.399 0.658 1.035) 2.694 0.926 ( 0.239 -0.744 1.557) 1.742 0.946 ( 1.589 -1.889 -1.068) 2.689 0.972 ( 0.527 0.177 -0.738) 0.924 0.974 ( -0.019 0.501 0.379) 0.629 0.988 ( -1.178 0.197 1.659) 2.044 1.002 ( 1.896 -0.709 -0.268) 2.042 1.006 ( -0.235 -2.164 -0.565) 2.249 1.030 ( 0.066 -0.421 -0.237) 0.487 1.044 ( 1.117 -0.062 1.985) 2.279 1.071 ( -0.560 -0.830 0.326) 1.053 1.103 ( 1.108 0.905 -0.051) 1.431 1.114 ( 0.575 -1.128 -1.479) 1.947 1.139 ( 0.689 1.097 0.312) 1.332 1.156 ( 1.353 0.333 0.759) 1.587 1.177 ( -0.814 0.748 -1.209) 1.638 1.190 ( -0.148 1.666 -0.776) 1.844 1.219 ( -1.200 -1.661 0.416) 2.091 1.222 ( -0.329 0.156 -0.461) 0.587 1.261 ( 0.049 -1.063 0.344) 1.118 1.272 ( 2.803 -0.892 -0.137) 2.945 1.291 ( 1.702 1.370 0.519) 2.246 1.299 ( 1.584 -1.465 -1.300) 2.519 1.336 ( 0.764 0.066 -1.598) 1.772 1.364 ( 1.618 -0.186 2.047) 2.615 1.386 ( -1.371 -0.013 -0.075) 1.373 1.404 ( 2.080 0.229 -0.087) 2.094 1.407 ( -0.610 -0.961 0.566) 1.271 1.422 ( 0.094 -0.444 1.291) 1.369 1.428 ( -3.297 1.353 -0.563) 3.607 1.456 ( 0.368 -0.545 0.520) 0.838 1.482 ( 0.193 -0.374 -0.521) 0.670 1.487 ( 0.686 -0.692 0.546) 1.117 1.497 ( -0.644 -2.211 -0.494) 2.355 1.509 ( 0.033 1.064 -0.776) 1.317 1.524 ( -0.893 -1.418 -0.512) 1.753 1.536 ( 0.583 -1.026 0.736) 1.391 1.563 ( -0.916 1.533 -1.380) 2.257 1.578 ( 1.303 1.296 0.781) 1.997 1.590 ( 0.064 1.337 -0.540) 1.444 1.600 ( 0.024 1.009 -0.490) 1.122 1.618 ( -0.028 0.055 0.823) 0.825 1.643 ( -0.181 -0.790 1.318) 1.548 1.663 ( -1.592 -0.586 -1.325) 2.152 1.672 ( 0.002 -0.031 0.873) 0.874 1.683 ( -0.286 -0.876 1.958) 2.164 1.725 ( 0.471 -1.496 -2.883) 3.282 1.742 ( -0.091 1.424 0.100) 1.431 1.758 ( 0.098 -1.267 -0.310) 1.308 1.799 ( -2.253 -0.946 -2.040) 3.184 1.806 ( -1.191 1.692 1.157) 2.371 1.829 ( -0.613 0.140 1.055) 1.228 1.843 ( -1.306 1.432 1.431) 2.409 1.863 ( 0.643 1.562 0.056) 1.690 1.875 ( 0.078 -0.804 0.474) 0.936 1.908 ( 1.013 0.792 0.814) 1.522 1.915 ( 1.740 -0.398 -0.568) 1.873 1.958 ( 1.287 1.349 -0.594) 1.956 1.968 ( -1.122 -2.863 -0.869) 3.196 1.991 ( 0.934 0.406 -3.138) 3.300 2.049 ( 1.994 -0.146 3.354) 3.905 2.085 ( 2.248 -0.916 1.916) 3.093 2.122 ( 2.002 -2.473 -1.674) 3.595 2.148 ( 1.078 -0.195 1.587) 1.928 2.179 ( 2.045 -2.359 -0.161) 3.126 2.187 ( 0.853 -1.288 -0.951) 1.814 2.208 ( 1.542 -1.838 -0.033) 2.399 2.238 ( 0.126 -0.709 -0.013) 0.720 2.246 ( 2.078 -2.299 -0.210) 3.106 2.259 ( 0.782 -3.100 0.029) 3.197 2.289 ( 1.611 -1.169 0.449) 2.040 2.320 ( 0.539 -1.354 0.252) 1.479 2.337 ( -0.234 -2.195 0.578) 2.282 2.386 ( 0.960 -1.215 1.718) 2.313 2.429 ( -1.683 -0.640 -0.916) 2.020 2.460 ( 1.420 0.732 -0.401) 1.647 2.478 ( 0.252 -0.089 -0.935) 0.972 2.488 ( -1.091 -0.956 -1.210) 1.889 2.525 ( 1.425 -1.179 0.191) 1.859 2.550 ( 0.344 1.122 -3.124) 3.337 2.587 ( 2.166 -0.873 2.525) 3.439 2.613 ( -0.900 -0.595 1.677) 1.994 2.652 ( -1.242 -1.391 -0.935) 2.086 2.692 ( -2.248 -0.845 -0.693) 2.500 2.708 ( -1.929 0.366 -0.302) 1.986 2.720 ( -1.319 0.522 1.234) 1.880 2.781 ( -0.582 1.257 2.170) 2.574 2.884 ( 1.736 1.828 1.663) 3.020 2.916 ( -1.682 -0.341 -2.217) 2.804 2.952 ( -0.971 4.264 -0.277) 4.382 3.005 ( -1.824 3.387 1.195) 4.028 3.043 ( -0.722 0.661 3.449) 3.585 3.068 ( -2.934 -0.432 -0.125) 2.968 3.270 ( 1.355 4.067 -4.283) 6.060 3.299 ( 0.527 2.564 -9.312) 9.673 3.489 ( 0.904 -0.380 3.736) 3.862 3.548 ( 1.381 -1.805 3.439) 4.122 3.691 ( 3.113 0.084 -0.625) 3.176 3.700 ( 1.951 -0.660 0.854) 2.230 ======================= Grid point 67 (35/40) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 0.452 -5.048 1.958) 5.434 0.638 ( 0.452 5.048 1.958) 5.434 0.704 ( -1.106 -5.547 0.127) 5.658 0.704 ( -1.106 5.547 0.127) 5.658 0.771 ( -0.415 -5.068 -1.169) 5.218 0.771 ( -0.415 5.068 -1.169) 5.218 0.819 ( 1.577 -2.783 -3.924) 5.062 0.819 ( 1.577 2.783 -3.924) 5.062 0.884 ( 0.053 -0.252 0.027) 0.259 0.884 ( 0.053 0.252 0.027) 0.259 0.925 ( -0.211 -0.781 0.645) 1.035 0.925 ( -0.211 0.781 0.645) 1.035 0.938 ( 0.127 -0.491 -0.611) 0.794 0.938 ( 0.127 0.491 -0.611) 0.794 0.987 ( -0.543 -0.776 0.181) 0.964 0.987 ( -0.543 0.776 0.181) 0.964 1.034 ( 0.624 -0.748 0.075) 0.977 1.034 ( 0.624 0.748 0.075) 0.977 1.083 ( 0.901 -1.419 2.216) 2.781 1.083 ( 0.901 1.419 2.216) 2.781 1.131 ( -1.314 -0.980 -2.069) 2.640 1.131 ( -1.314 0.980 -2.069) 2.640 1.164 ( 0.390 -1.437 0.853) 1.716 1.164 ( 0.390 1.437 0.853) 1.716 1.183 ( 0.702 -1.226 0.488) 1.495 1.183 ( 0.702 1.226 0.488) 1.495 1.216 ( -0.235 -1.314 -1.197) 1.793 1.216 ( -0.235 1.314 -1.197) 1.793 1.273 ( 0.078 -3.864 -0.010) 3.864 1.273 ( 0.078 3.864 -0.010) 3.864 1.342 ( -1.801 -0.422 0.459) 1.906 1.342 ( -1.801 0.422 0.459) 1.906 1.358 ( 0.576 -0.489 0.415) 0.862 1.358 ( 0.576 0.489 0.415) 0.862 1.399 ( 0.632 -2.079 0.086) 2.174 1.399 ( 0.632 2.079 0.086) 2.174 1.410 ( -0.362 -1.090 1.408) 1.817 1.410 ( -0.362 1.090 1.408) 1.817 1.422 ( -0.040 -1.606 1.093) 1.943 1.422 ( -0.040 1.606 1.093) 1.943 1.456 ( -0.262 -2.250 0.927) 2.448 1.456 ( -0.262 2.250 0.927) 2.448 1.495 ( -0.321 -0.489 -0.395) 0.706 1.495 ( -0.321 0.489 -0.395) 0.706 1.545 ( 1.704 -1.886 -0.802) 2.665 1.545 ( 1.704 1.886 -0.802) 2.665 1.573 ( -0.847 -1.442 0.060) 1.673 1.573 ( -0.847 1.442 0.060) 1.673 1.586 ( -0.480 -0.499 -0.493) 0.850 1.586 ( -0.480 0.499 -0.493) 0.850 1.634 ( 0.722 -1.088 -1.852) 2.265 1.634 ( 0.722 1.088 -1.852) 2.265 1.660 ( 1.590 -0.842 0.207) 1.812 1.660 ( 1.590 0.842 0.207) 1.812 1.690 ( -0.312 -0.984 0.468) 1.133 1.690 ( -0.312 0.984 0.468) 1.133 1.750 ( -1.835 -1.094 -0.731) 2.258 1.750 ( -1.835 1.094 -0.731) 2.258 1.783 ( 0.515 -0.412 -2.343) 2.434 1.783 ( 0.515 0.412 -2.343) 2.434 1.853 ( 0.489 -1.868 1.245) 2.298 1.853 ( 0.489 1.868 1.245) 2.298 1.873 ( -1.539 -2.383 1.475) 3.197 1.873 ( -1.539 2.383 1.475) 3.197 1.902 ( 0.047 -1.533 -1.444) 2.106 1.902 ( 0.047 1.533 -1.444) 2.106 1.966 ( 0.700 -1.800 0.671) 2.045 1.966 ( 0.700 1.800 0.671) 2.045 2.057 ( -0.862 -1.487 2.118) 2.728 2.057 ( -0.862 1.487 2.118) 2.728 2.089 ( 0.392 -3.431 -0.970) 3.587 2.089 ( 0.392 3.431 -0.970) 3.587 2.164 ( -0.280 -0.281 0.418) 0.577 2.164 ( -0.280 0.281 0.418) 0.577 2.190 ( 0.909 -0.401 -0.900) 1.340 2.190 ( 0.909 0.401 -0.900) 1.340 2.237 ( 1.019 -0.347 0.454) 1.168 2.237 ( 1.019 0.347 0.454) 1.168 2.249 ( -1.512 -0.325 -0.493) 1.624 2.249 ( -1.512 0.325 -0.493) 1.624 2.330 ( 1.303 -0.700 1.973) 2.466 2.330 ( 1.303 0.700 1.973) 2.466 2.378 ( -1.258 -1.582 -0.660) 2.126 2.378 ( -1.258 1.582 -0.660) 2.126 2.477 ( 0.272 -1.220 -0.176) 1.262 2.477 ( 0.272 1.220 -0.176) 1.262 2.505 ( 0.027 -1.212 -0.876) 1.495 2.505 ( 0.027 1.212 -0.876) 1.495 2.585 ( -2.119 -0.666 0.123) 2.225 2.585 ( -2.119 0.666 0.123) 2.225 2.621 ( 1.886 -1.321 -0.888) 2.468 2.621 ( 1.886 1.321 -0.888) 2.468 2.684 ( 2.750 -1.587 1.766) 3.633 2.684 ( 2.750 1.587 1.766) 3.633 2.721 ( -2.686 -1.467 -0.689) 3.137 2.721 ( -2.686 1.467 -0.689) 3.137 2.932 ( 1.072 -1.148 1.165) 1.956 2.932 ( 1.072 1.148 1.165) 1.956 3.002 ( -0.988 -0.626 2.146) 2.444 3.002 ( -0.988 0.626 2.146) 2.444 3.041 ( 0.378 -0.959 -0.172) 1.045 3.041 ( 0.378 0.959 -0.172) 1.045 3.279 ( -1.307 -0.872 -6.214) 6.409 3.279 ( -1.307 0.872 -6.214) 6.409 3.567 ( 1.652 -1.688 3.806) 4.479 3.567 ( 1.652 1.688 3.806) 4.479 3.717 ( -0.679 -0.702 -0.861) 1.302 3.717 ( -0.679 0.702 -0.861) 1.302 ======================= Grid point 69 (36/40) ======================= q-point: ( 0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -1.103 -6.896 -0.451) 6.999 0.628 ( -1.103 6.896 -0.451) 6.999 0.697 ( -0.860 -4.461 2.779) 5.326 0.697 ( -0.860 4.461 2.779) 5.326 0.762 ( 0.421 -4.052 -0.918) 4.176 0.762 ( 0.421 4.052 -0.918) 4.176 0.820 ( 0.649 -3.232 -4.029) 5.206 0.820 ( 0.649 3.232 -4.029) 5.206 0.875 ( -1.060 -2.025 0.367) 2.315 0.875 ( -1.060 2.025 0.367) 2.315 0.938 ( 0.344 -0.946 -0.363) 1.070 0.938 ( 0.344 0.946 -0.363) 1.070 0.957 ( 1.241 -0.324 -0.318) 1.322 0.957 ( 1.241 0.324 -0.318) 1.322 0.980 ( 0.084 -1.145 1.037) 1.547 0.980 ( 0.084 1.145 1.037) 1.547 1.034 ( -0.300 -1.737 -0.936) 1.996 1.034 ( -0.300 1.737 -0.936) 1.996 1.084 ( -2.173 -0.736 -1.489) 2.735 1.084 ( -2.173 0.736 -1.489) 2.735 1.103 ( -0.358 -1.197 1.372) 1.856 1.103 ( -0.358 1.197 1.372) 1.856 1.162 ( -1.807 -0.524 -0.596) 1.973 1.162 ( -1.807 0.524 -0.596) 1.973 1.182 ( 1.049 -1.774 0.019) 2.061 1.182 ( 1.049 1.774 0.019) 2.061 1.223 ( 1.188 -2.547 0.094) 2.812 1.223 ( 1.188 2.547 0.094) 2.812 1.256 ( -1.494 -0.692 -0.053) 1.647 1.256 ( -1.494 0.692 -0.053) 1.647 1.303 ( -1.009 -1.427 0.219) 1.762 1.303 ( -1.009 1.427 0.219) 1.762 1.341 ( -2.483 -1.703 1.932) 3.577 1.341 ( -2.483 1.703 1.932) 3.577 1.404 ( 0.522 -0.647 -0.568) 1.007 1.404 ( 0.522 0.647 -0.568) 1.007 1.420 ( -0.380 -0.737 1.202) 1.460 1.420 ( -0.380 0.737 1.202) 1.460 1.442 ( 0.029 -2.413 0.077) 2.414 1.442 ( 0.029 2.413 0.077) 2.414 1.455 ( 0.507 -0.759 1.584) 1.828 1.455 ( 0.507 0.759 1.584) 1.828 1.485 ( 0.021 -0.771 -1.300) 1.512 1.485 ( 0.021 0.771 -1.300) 1.512 1.547 ( -0.199 -0.333 -1.606) 1.653 1.547 ( -0.199 0.333 -1.606) 1.653 1.565 ( -0.774 -2.334 1.058) 2.677 1.565 ( -0.774 2.334 1.058) 2.677 1.593 ( 0.508 -1.251 -0.487) 1.436 1.593 ( 0.508 1.251 -0.487) 1.436 1.643 ( 0.740 -0.482 -1.280) 1.555 1.643 ( 0.740 0.482 -1.280) 1.555 1.673 ( 0.341 -0.404 -1.543) 1.631 1.673 ( 0.341 0.404 -1.543) 1.631 1.693 ( -1.115 -0.539 1.354) 1.834 1.693 ( -1.115 0.539 1.354) 1.834 1.743 ( 2.325 -1.367 0.311) 2.715 1.743 ( 2.325 1.367 0.311) 2.715 1.792 ( 0.557 -1.536 -0.149) 1.640 1.792 ( 0.557 1.536 -0.149) 1.640 1.838 ( -1.401 -2.059 1.984) 3.184 1.838 ( -1.401 2.059 1.984) 3.184 1.870 ( 0.649 -1.034 -0.199) 1.237 1.870 ( 0.649 1.034 -0.199) 1.237 1.917 ( 0.567 -1.142 0.430) 1.346 1.917 ( 0.567 1.142 0.430) 1.346 1.962 ( -0.732 -1.270 -0.959) 1.752 1.962 ( -0.732 1.270 -0.959) 1.752 2.010 ( -3.118 -3.454 0.532) 4.683 2.010 ( -3.118 3.454 0.532) 4.683 2.096 ( 0.457 -1.130 0.159) 1.229 2.096 ( 0.457 1.130 0.159) 1.229 2.146 ( -1.802 -1.469 0.621) 2.407 2.146 ( -1.802 1.469 0.621) 2.407 2.200 ( -0.231 -2.253 -1.089) 2.513 2.200 ( -0.231 2.253 -1.089) 2.513 2.215 ( -1.404 -1.045 -0.735) 1.898 2.215 ( -1.404 1.045 -0.735) 1.898 2.264 ( 1.548 -2.515 0.753) 3.048 2.264 ( 1.548 2.515 0.753) 3.048 2.322 ( -0.973 -1.720 -0.354) 2.007 2.322 ( -0.973 1.720 -0.354) 2.007 2.378 ( 0.524 -1.764 1.177) 2.184 2.378 ( 0.524 1.764 1.177) 2.184 2.473 ( -0.609 -0.950 -0.241) 1.154 2.473 ( -0.609 0.950 -0.241) 1.154 2.498 ( -0.663 -0.745 -0.978) 1.397 2.498 ( -0.663 0.745 -0.978) 1.397 2.560 ( 0.213 -3.576 0.957) 3.708 2.560 ( 0.213 3.576 0.957) 3.708 2.638 ( -1.011 -1.234 -1.167) 1.977 2.638 ( -1.011 1.234 -1.167) 1.977 2.692 ( 1.066 -1.661 -0.439) 2.022 2.692 ( 1.066 1.661 -0.439) 2.022 2.758 ( 2.892 -2.626 1.698) 4.259 2.758 ( 2.892 2.626 1.698) 4.259 2.917 ( -1.449 -1.415 -1.106) 2.308 2.917 ( -1.449 1.415 -1.106) 2.308 3.024 ( 0.670 -1.542 2.401) 2.931 3.024 ( 0.670 1.542 2.401) 2.931 3.067 ( 2.677 -1.253 0.371) 2.979 3.067 ( 2.677 1.253 0.371) 2.979 3.242 ( -1.298 -1.912 -2.653) 3.519 3.242 ( -1.298 1.912 -2.653) 3.519 3.586 ( -0.143 -1.189 -0.216) 1.217 3.586 ( -0.143 1.189 -0.216) 1.217 3.661 ( -4.395 -1.774 0.595) 4.777 3.661 ( -4.395 1.774 0.595) 4.777 ======================= Grid point 71 (37/40) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 0.452 -7.961 -0.500) 7.990 0.619 ( 0.452 7.961 -0.500) 7.990 0.685 ( -0.768 -2.979 0.896) 3.204 0.685 ( -0.768 2.979 0.896) 3.204 0.772 ( 0.867 -2.531 0.250) 2.687 0.772 ( 0.867 2.531 0.250) 2.687 0.832 ( 1.100 -1.379 -2.776) 3.289 0.832 ( 1.100 1.379 -2.776) 3.289 0.870 ( -0.097 -0.933 0.266) 0.975 0.870 ( -0.097 0.933 0.266) 0.975 0.918 ( -1.094 -1.056 -0.866) 1.749 0.918 ( -1.094 1.056 -0.866) 1.749 0.968 ( 0.231 -0.929 0.541) 1.100 0.968 ( 0.231 0.929 0.541) 1.100 0.990 ( 0.051 -1.044 0.698) 1.257 0.990 ( 0.051 1.044 0.698) 1.257 1.005 ( -2.713 -0.416 -1.557) 3.156 1.005 ( -2.713 0.416 -1.557) 3.156 1.045 ( -0.456 -2.592 -0.962) 2.802 1.045 ( -0.456 2.592 -0.962) 2.802 1.091 ( -0.745 -1.924 -0.963) 2.277 1.091 ( -0.745 1.924 -0.963) 2.277 1.129 ( -1.117 -1.662 -0.201) 2.013 1.129 ( -1.117 1.662 -0.201) 2.013 1.210 ( 0.845 -1.787 -0.337) 2.005 1.210 ( 0.845 1.787 -0.337) 2.005 1.228 ( -0.971 -0.498 0.897) 1.412 1.228 ( -0.971 0.498 0.897) 1.412 1.254 ( 1.025 -1.084 -1.045) 1.822 1.254 ( 1.025 1.084 -1.045) 1.822 1.298 ( 0.343 -2.339 2.067) 3.140 1.298 ( 0.343 2.339 2.067) 3.140 1.326 ( 0.964 -0.454 0.495) 1.175 1.326 ( 0.964 0.454 0.495) 1.175 1.378 ( -2.616 -1.921 -0.405) 3.271 1.378 ( -2.616 1.921 -0.405) 3.271 1.400 ( -1.011 -1.427 0.011) 1.749 1.400 ( -1.011 1.427 0.011) 1.749 1.437 ( -0.225 -1.044 1.943) 2.217 1.437 ( -0.225 1.044 1.943) 2.217 1.469 ( 0.299 -1.165 -0.764) 1.425 1.469 ( 0.299 1.165 -0.764) 1.425 1.490 ( 0.263 -1.547 -0.310) 1.599 1.490 ( 0.263 1.547 -0.310) 1.599 1.536 ( -0.539 -0.585 -0.514) 0.947 1.536 ( -0.539 0.585 -0.514) 0.947 1.566 ( 0.201 -1.493 1.433) 2.079 1.566 ( 0.201 1.493 1.433) 2.079 1.588 ( -0.169 -0.334 -0.468) 0.600 1.588 ( -0.169 0.334 -0.468) 0.600 1.644 ( -1.617 -1.157 1.335) 2.395 1.644 ( -1.617 1.157 1.335) 2.395 1.663 ( 0.141 -0.669 -0.809) 1.059 1.663 ( 0.141 0.669 -0.809) 1.059 1.702 ( 0.826 -1.486 -0.905) 1.926 1.702 ( 0.826 1.486 -0.905) 1.926 1.761 ( 0.513 -0.846 0.374) 1.057 1.761 ( 0.513 0.846 0.374) 1.057 1.818 ( 0.095 -2.462 1.522) 2.895 1.818 ( 0.095 2.462 1.522) 2.895 1.827 ( 0.527 -2.075 1.058) 2.388 1.827 ( 0.527 2.075 1.058) 2.388 1.876 ( -0.297 -1.786 0.058) 1.811 1.876 ( -0.297 1.786 0.058) 1.811 1.908 ( 0.328 -2.640 0.426) 2.694 1.908 ( 0.328 2.640 0.426) 2.694 1.969 ( 0.295 -2.891 -1.594) 3.314 1.969 ( 0.295 2.891 -1.594) 3.314 1.983 ( 0.583 -1.299 0.962) 1.719 1.983 ( 0.583 1.299 0.962) 1.719 2.059 ( -2.916 -0.722 -1.862) 3.534 2.059 ( -2.916 0.722 -1.862) 3.534 2.134 ( -1.077 -1.758 0.301) 2.083 2.134 ( -1.077 1.758 0.301) 2.083 2.177 ( -1.642 -0.286 -0.032) 1.667 2.177 ( -1.642 0.286 -0.032) 1.667 2.195 ( 0.524 -0.782 -0.685) 1.164 2.195 ( 0.524 0.782 -0.685) 1.164 2.291 ( 1.291 -1.935 -0.025) 2.326 2.291 ( 1.291 1.935 -0.025) 2.326 2.329 ( 0.932 -1.152 0.031) 1.482 2.329 ( 0.932 1.152 0.031) 1.482 2.386 ( -0.214 -2.363 0.688) 2.470 2.386 ( -0.214 2.363 0.688) 2.470 2.456 ( -1.040 -1.337 0.375) 1.735 2.456 ( -1.040 1.337 0.375) 1.735 2.481 ( -0.175 -1.030 -0.732) 1.276 2.481 ( -0.175 1.030 -0.732) 1.276 2.586 ( 1.466 -4.115 -0.712) 4.426 2.586 ( 1.466 4.115 -0.712) 4.426 2.624 ( 0.434 -2.099 0.071) 2.145 2.624 ( 0.434 2.099 0.071) 2.145 2.705 ( -0.097 -1.252 0.456) 1.336 2.705 ( -0.097 1.252 0.456) 1.336 2.772 ( -2.157 -1.982 -0.117) 2.932 2.772 ( -2.157 1.982 -0.117) 2.932 2.918 ( 2.233 -1.676 0.896) 2.932 2.918 ( 2.233 1.676 0.896) 2.932 3.030 ( -0.152 -2.466 1.324) 2.803 3.030 ( -0.152 2.466 1.324) 2.803 3.123 ( 2.466 -0.831 -0.191) 2.610 3.123 ( 2.466 0.831 -0.191) 2.610 3.199 ( -3.002 -2.409 -0.708) 3.913 3.199 ( -3.002 2.409 -0.708) 3.913 3.557 ( -1.916 -2.320 -3.703) 4.771 3.557 ( -1.916 2.320 -3.703) 4.771 3.597 ( -1.930 -0.296 2.937) 3.527 3.597 ( -1.930 0.296 2.937) 3.527 ======================= Grid point 73 (38/40) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 0.517 -1.165 -0.567) 1.395 0.632 ( 0.517 1.165 -0.567) 1.395 0.673 ( -0.543 -1.220 0.676) 1.497 0.673 ( -0.543 1.220 0.676) 1.497 0.794 ( 0.278 -2.269 -0.847) 2.438 0.794 ( 0.278 2.269 -0.847) 2.438 0.829 ( -0.579 -0.780 -0.758) 1.233 0.829 ( -0.579 0.780 -0.758) 1.233 0.865 ( 1.131 -0.689 -0.940) 1.624 0.865 ( 1.131 0.689 -0.940) 1.624 0.916 ( 0.778 -1.178 0.185) 1.423 0.916 ( 0.778 1.178 0.185) 1.423 0.942 ( -1.930 -1.312 -1.068) 2.567 0.942 ( -1.930 1.312 -1.068) 2.567 0.981 ( 0.024 -1.629 0.246) 1.647 0.981 ( 0.024 1.629 0.246) 1.647 1.008 ( 1.030 -1.545 0.376) 1.895 1.008 ( 1.030 1.545 0.376) 1.895 1.038 ( -0.136 -1.145 -1.878) 2.204 1.038 ( -0.136 1.145 -1.878) 2.204 1.073 ( -0.613 -0.337 -0.532) 0.879 1.073 ( -0.613 0.337 -0.532) 0.879 1.119 ( 0.577 -0.641 -0.088) 0.866 1.119 ( 0.577 0.641 -0.088) 0.866 1.212 ( -0.810 -1.658 0.558) 1.928 1.212 ( -0.810 1.658 0.558) 1.928 1.222 ( 0.591 -1.003 0.546) 1.285 1.222 ( 0.591 1.003 0.546) 1.285 1.263 ( -0.393 -0.956 0.222) 1.057 1.263 ( -0.393 0.956 0.222) 1.057 1.286 ( -1.037 -1.981 -1.400) 2.638 1.286 ( -1.037 1.981 -1.400) 2.638 1.354 ( 0.450 -0.985 0.922) 1.422 1.354 ( 0.450 0.985 0.922) 1.422 1.360 ( 0.737 -1.747 0.865) 2.084 1.360 ( 0.737 1.747 0.865) 2.084 1.397 ( 0.209 -0.928 0.691) 1.175 1.397 ( 0.209 0.928 0.691) 1.175 1.439 ( -0.020 -0.443 0.650) 0.786 1.439 ( -0.020 0.443 0.650) 0.786 1.474 ( 0.769 -0.524 -0.761) 1.202 1.474 ( 0.769 0.524 -0.761) 1.202 1.491 ( 0.657 -1.395 -1.432) 2.104 1.491 ( 0.657 1.395 -1.432) 2.104 1.525 ( -0.939 -2.412 1.742) 3.120 1.525 ( -0.939 2.412 1.742) 3.120 1.561 ( -1.211 -0.705 -0.226) 1.419 1.561 ( -1.211 0.705 -0.226) 1.419 1.589 ( 1.039 -1.088 0.133) 1.510 1.589 ( 1.039 1.088 0.133) 1.510 1.635 ( -0.442 -1.244 2.115) 2.493 1.635 ( -0.442 1.244 2.115) 2.493 1.650 ( -0.460 -0.648 0.681) 1.047 1.650 ( -0.460 0.648 0.681) 1.047 1.703 ( -0.118 -0.784 -2.141) 2.283 1.703 ( -0.118 0.784 -2.141) 2.283 1.784 ( 0.893 -1.027 0.750) 1.554 1.784 ( 0.893 1.027 0.750) 1.554 1.826 ( 0.684 -1.501 1.787) 2.432 1.826 ( 0.684 1.501 1.787) 2.432 1.836 ( -0.233 -1.557 -0.190) 1.586 1.836 ( -0.233 1.557 -0.190) 1.586 1.872 ( -0.246 -0.559 0.700) 0.929 1.872 ( -0.246 0.559 0.700) 0.929 1.922 ( -0.683 -2.981 0.609) 3.118 1.922 ( -0.683 2.981 0.609) 3.118 1.951 ( 0.054 -1.426 0.348) 1.468 1.951 ( 0.054 1.426 0.348) 1.468 2.000 ( -0.103 -0.905 -1.495) 1.751 2.000 ( -0.103 0.905 -1.495) 1.751 2.030 ( 1.275 -1.107 -3.125) 3.552 2.030 ( 1.275 1.107 -3.125) 3.552 2.107 ( -0.981 -0.327 0.097) 1.039 2.107 ( -0.981 0.327 0.097) 1.039 2.146 ( -0.627 -0.578 0.364) 0.927 2.146 ( -0.627 0.578 0.364) 0.927 2.222 ( 0.954 -0.392 0.125) 1.039 2.222 ( 0.954 0.392 0.125) 1.039 2.317 ( 0.342 -0.358 0.094) 0.505 2.317 ( 0.342 0.358 0.094) 0.505 2.328 ( -0.566 -0.431 0.029) 0.712 2.328 ( -0.566 0.431 0.029) 0.712 2.373 ( -0.384 -1.636 -0.112) 1.685 2.373 ( -0.384 1.636 -0.112) 1.685 2.447 ( -0.043 -0.923 1.082) 1.423 2.447 ( -0.043 0.923 1.082) 1.423 2.489 ( 0.363 -0.763 -0.501) 0.982 2.489 ( 0.363 0.763 -0.501) 0.982 2.595 ( -0.421 -0.935 -1.179) 1.563 2.595 ( -0.421 0.935 -1.179) 1.563 2.639 ( 0.046 -0.292 0.794) 0.847 2.639 ( 0.046 0.292 0.794) 0.847 2.701 ( 0.095 -1.747 0.689) 1.880 2.701 ( 0.095 1.747 0.689) 1.880 2.728 ( -0.311 -1.328 -1.687) 2.170 2.728 ( -0.311 1.328 -1.687) 2.170 2.989 ( 3.383 -2.882 4.133) 6.069 2.989 ( 3.383 2.882 4.133) 6.069 3.017 ( -2.445 -1.795 2.386) 3.860 3.017 ( -2.445 1.795 2.386) 3.860 3.106 ( -2.833 -1.330 -3.935) 5.027 3.106 ( -2.833 1.330 -3.935) 5.027 3.189 ( 3.142 -2.280 -1.247) 4.077 3.189 ( 3.142 2.280 -1.247) 4.077 3.519 ( -1.809 -2.215 0.166) 2.865 3.519 ( -1.809 2.215 0.166) 2.865 3.593 ( 1.053 -0.902 -0.160) 1.396 3.593 ( 1.053 0.902 -0.160) 1.396 ======================= Grid point 75 (39/40) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -0.607 -5.397 -1.118) 5.545 0.626 ( -0.607 5.397 -1.118) 5.545 0.679 ( 1.093 -7.044 1.311) 7.248 0.679 ( 1.093 7.044 1.311) 7.248 0.770 ( -1.588 -2.995 0.288) 3.402 0.770 ( -1.588 2.995 0.288) 3.402 0.828 ( 0.475 -2.761 -1.743) 3.299 0.828 ( 0.475 2.761 -1.743) 3.299 0.894 ( 0.041 -0.428 -1.759) 1.811 0.894 ( 0.041 0.428 -1.759) 1.811 0.913 ( 0.849 -0.504 -0.744) 1.236 0.913 ( 0.849 0.504 -0.744) 1.236 0.954 ( 1.558 -0.464 1.723) 2.369 0.954 ( 1.558 0.464 1.723) 2.369 0.987 ( 0.946 -1.204 -0.060) 1.532 0.987 ( 0.946 1.204 -0.060) 1.532 1.010 ( -1.093 -0.745 -1.434) 1.951 1.010 ( -1.093 0.745 -1.434) 1.951 1.026 ( 0.704 -1.736 0.049) 1.874 1.026 ( 0.704 1.736 0.049) 1.874 1.082 ( 1.332 -1.214 0.278) 1.824 1.082 ( 1.332 1.214 0.278) 1.824 1.145 ( 1.237 -1.909 -1.161) 2.554 1.145 ( 1.237 1.909 -1.161) 2.554 1.195 ( -1.394 -2.716 0.626) 3.117 1.195 ( -1.394 2.716 0.626) 3.117 1.228 ( 0.356 -0.886 1.033) 1.406 1.228 ( 0.356 0.886 1.033) 1.406 1.254 ( 0.842 -0.780 -0.963) 1.499 1.254 ( 0.842 0.780 -0.963) 1.499 1.293 ( -0.059 -2.114 1.368) 2.519 1.293 ( -0.059 2.114 1.368) 2.519 1.349 ( -0.061 -0.233 0.525) 0.577 1.349 ( -0.061 0.233 0.525) 0.577 1.375 ( 0.369 -0.956 -0.649) 1.213 1.375 ( 0.369 0.956 -0.649) 1.213 1.402 ( 0.848 -0.203 -0.761) 1.158 1.402 ( 0.848 0.203 -0.761) 1.158 1.439 ( 0.053 -0.601 0.902) 1.085 1.439 ( 0.053 0.601 0.902) 1.085 1.474 ( -0.661 -0.491 0.246) 0.859 1.474 ( -0.661 0.491 0.246) 0.859 1.503 ( 0.044 -1.105 -0.659) 1.288 1.503 ( 0.044 1.105 -0.659) 1.288 1.521 ( -0.518 -0.384 0.197) 0.674 1.521 ( -0.518 0.384 0.197) 0.674 1.555 ( 1.819 -1.928 0.242) 2.661 1.555 ( 1.819 1.928 0.242) 2.661 1.607 ( -1.048 -0.868 0.861) 1.611 1.607 ( -1.048 0.868 0.861) 1.611 1.638 ( 1.307 -1.934 0.482) 2.384 1.638 ( 1.307 1.934 0.482) 2.384 1.655 ( 0.850 -0.910 -0.032) 1.245 1.655 ( 0.850 0.910 -0.032) 1.245 1.692 ( -0.795 -1.311 -0.431) 1.593 1.692 ( -0.795 1.311 -0.431) 1.593 1.781 ( -1.232 -1.351 -0.763) 1.981 1.781 ( -1.232 1.351 -0.763) 1.981 1.824 ( -1.090 -0.685 0.839) 1.537 1.824 ( -1.090 0.685 0.839) 1.537 1.839 ( 0.979 -1.364 0.427) 1.732 1.839 ( 0.979 1.364 0.427) 1.732 1.869 ( 0.004 -0.883 0.646) 1.094 1.869 ( 0.004 0.883 0.646) 1.094 1.905 ( -0.045 -2.111 0.462) 2.161 1.905 ( -0.045 2.111 0.462) 2.161 1.965 ( -0.540 -1.189 -0.949) 1.614 1.965 ( -0.540 1.189 -0.949) 1.614 2.012 ( 1.553 -1.324 0.673) 2.149 2.012 ( 1.553 1.324 0.673) 2.149 2.037 ( 0.839 -2.840 -2.372) 3.794 2.037 ( 0.839 2.840 -2.372) 3.794 2.119 ( 1.782 -1.410 1.034) 2.496 2.119 ( 1.782 1.410 1.034) 2.496 2.163 ( 1.678 -1.062 0.611) 2.078 2.163 ( 1.678 1.062 0.611) 2.078 2.216 ( -0.858 -0.757 -1.491) 1.879 2.216 ( -0.858 0.757 -1.491) 1.879 2.291 ( -1.382 -1.127 0.001) 1.784 2.291 ( -1.382 1.127 0.001) 1.784 2.316 ( -1.529 -0.727 0.838) 1.889 2.316 ( -1.529 0.727 0.838) 1.889 2.390 ( 1.154 -1.962 0.503) 2.331 2.390 ( 1.154 1.962 0.503) 2.331 2.454 ( 0.517 -1.792 0.344) 1.896 2.454 ( 0.517 1.792 0.344) 1.896 2.487 ( 0.343 -1.103 -0.946) 1.493 2.487 ( 0.343 1.103 -0.946) 1.493 2.574 ( -0.719 -3.081 -0.111) 3.166 2.574 ( -0.719 3.081 -0.111) 3.166 2.623 ( -1.391 -1.730 0.346) 2.247 2.623 ( -1.391 1.730 0.346) 2.247 2.722 ( 0.348 -0.969 -0.938) 1.393 2.722 ( 0.348 0.969 -0.938) 1.393 2.751 ( 2.368 -0.901 1.327) 2.860 2.751 ( 2.368 0.901 1.327) 2.860 2.944 ( -3.960 -3.103 -0.826) 5.098 2.944 ( -3.960 3.103 -0.826) 5.098 3.025 ( -0.677 -1.024 1.966) 2.318 3.025 ( -0.677 1.024 1.966) 2.318 3.081 ( -0.258 -2.244 1.132) 2.527 3.081 ( -0.258 2.244 1.132) 2.527 3.272 ( 5.572 -2.645 -4.522) 7.648 3.272 ( 5.572 2.645 -4.522) 7.648 3.485 ( -1.598 -0.587 2.464) 2.995 3.485 ( -1.598 0.587 2.464) 2.995 3.634 ( 3.037 -0.933 -0.604) 3.234 3.634 ( 3.037 0.933 -0.604) 3.234 ======================= Grid point 77 (40/40) ======================= q-point: (-0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 0.456 -2.330 0.196) 2.382 0.621 ( 0.456 2.330 0.196) 2.382 0.713 ( 1.027 -5.591 0.860) 5.750 0.713 ( 1.027 5.591 0.860) 5.750 0.759 ( 0.763 -4.089 1.176) 4.323 0.759 ( 0.763 4.089 1.176) 4.323 0.816 ( -0.616 -3.680 -4.705) 6.004 0.816 ( -0.616 3.680 -4.705) 6.004 0.884 ( 0.025 -1.048 -0.284) 1.086 0.884 ( 0.025 1.048 -0.284) 1.086 0.926 ( 0.237 -0.127 0.123) 0.295 0.926 ( 0.237 0.127 0.123) 0.295 0.964 ( -1.348 -1.061 -1.198) 2.092 0.964 ( -1.348 1.061 -1.198) 2.092 0.990 ( 0.086 -0.327 0.687) 0.766 0.990 ( 0.086 0.327 0.687) 0.766 1.018 ( 0.795 -1.056 0.263) 1.348 1.018 ( 0.795 1.056 0.263) 1.348 1.050 ( 1.840 -1.312 1.158) 2.539 1.050 ( 1.840 1.312 1.158) 2.539 1.125 ( 2.424 -1.554 0.773) 2.982 1.125 ( 2.424 1.554 0.773) 2.982 1.152 ( 0.264 -0.861 -1.047) 1.381 1.152 ( 0.264 0.861 -1.047) 1.381 1.176 ( -0.408 -0.317 0.166) 0.543 1.176 ( -0.408 0.317 0.166) 0.543 1.228 ( -0.762 -2.055 -0.258) 2.207 1.228 ( -0.762 2.055 -0.258) 2.207 1.269 ( 0.204 -2.054 -0.638) 2.160 1.269 ( 0.204 2.054 -0.638) 2.160 1.302 ( 2.295 -1.543 0.204) 2.773 1.302 ( 2.295 1.543 0.204) 2.773 1.364 ( 1.478 -0.748 0.758) 1.822 1.364 ( 1.478 0.748 0.758) 1.822 1.391 ( -0.815 -0.300 0.741) 1.142 1.391 ( -0.815 0.300 0.741) 1.142 1.409 ( 0.573 -1.435 0.727) 1.708 1.409 ( 0.573 1.435 0.727) 1.708 1.440 ( -0.080 -1.005 0.573) 1.159 1.440 ( -0.080 1.005 0.573) 1.159 1.466 ( -1.766 -0.278 1.074) 2.085 1.466 ( -1.766 0.278 1.074) 2.085 1.484 ( 0.667 -1.667 -1.438) 2.301 1.484 ( 0.667 1.667 -1.438) 2.301 1.525 ( 0.296 -0.485 0.140) 0.585 1.525 ( 0.296 0.485 0.140) 0.585 1.586 ( 0.013 -0.379 0.120) 0.398 1.586 ( 0.013 0.379 0.120) 0.398 1.606 ( 1.130 -0.930 -1.032) 1.791 1.606 ( 1.130 0.930 -1.032) 1.791 1.619 ( -0.941 -1.904 -0.775) 2.261 1.619 ( -0.941 1.904 -0.775) 2.261 1.662 ( -1.238 -1.187 -0.030) 1.716 1.662 ( -1.238 1.187 -0.030) 1.716 1.692 ( 0.054 -1.286 0.337) 1.330 1.692 ( 0.054 1.286 0.337) 1.330 1.758 ( -0.024 -1.340 -0.284) 1.370 1.758 ( -0.024 1.340 -0.284) 1.370 1.806 ( -1.043 -0.525 -0.285) 1.202 1.806 ( -1.043 0.525 -0.285) 1.202 1.853 ( -1.255 -1.493 0.354) 1.983 1.853 ( -1.255 1.493 0.354) 1.983 1.877 ( 1.259 -0.479 -0.718) 1.526 1.877 ( 1.259 0.479 -0.718) 1.526 1.920 ( -0.120 -1.651 1.142) 2.011 1.920 ( -0.120 1.651 1.142) 2.011 1.939 ( 0.364 -1.919 -0.871) 2.139 1.939 ( 0.364 1.919 -0.871) 2.139 2.040 ( 2.155 -3.357 -0.710) 4.052 2.040 ( 2.155 3.357 -0.710) 4.052 2.069 ( 0.878 -1.656 1.592) 2.460 2.069 ( 0.878 1.656 1.592) 2.460 2.149 ( 1.375 -0.615 0.781) 1.697 2.149 ( 1.375 0.615 0.781) 1.697 2.189 ( 0.133 -1.100 -0.648) 1.284 2.189 ( 0.133 1.100 -0.648) 1.284 2.215 ( 1.346 -0.155 -0.517) 1.450 2.215 ( 1.346 0.155 -0.517) 1.450 2.277 ( -1.353 -3.060 0.151) 3.349 2.277 ( -1.353 3.060 0.151) 3.349 2.294 ( 0.816 -1.189 0.907) 1.703 2.294 ( 0.816 1.189 0.907) 1.703 2.398 ( -0.435 -2.068 0.211) 2.124 2.398 ( -0.435 2.068 0.211) 2.124 2.467 ( 0.693 -0.609 -0.205) 0.945 2.467 ( 0.693 0.609 -0.205) 0.945 2.501 ( 0.847 -1.180 -0.883) 1.700 2.501 ( 0.847 1.180 -0.883) 1.700 2.577 ( 1.024 -1.253 0.081) 1.620 2.577 ( 1.024 1.253 0.081) 1.620 2.609 ( 0.354 -1.215 0.415) 1.332 2.609 ( 0.354 1.215 0.415) 1.332 2.693 ( -2.869 -0.931 -0.515) 3.060 2.693 ( -2.869 0.931 -0.515) 3.060 2.769 ( -1.470 -2.345 1.156) 2.999 2.769 ( -1.470 2.345 1.156) 2.999 2.905 ( 0.436 -0.625 -0.348) 0.837 2.905 ( 0.436 0.625 -0.348) 0.837 3.016 ( -0.562 -1.994 2.001) 2.880 3.016 ( -0.562 1.994 2.001) 2.880 3.059 ( -2.021 -0.840 0.694) 2.296 3.059 ( -2.021 0.840 0.694) 2.296 3.317 ( 0.429 -0.698 -8.197) 8.238 3.317 ( 0.429 0.698 -8.197) 8.238 3.506 ( 2.433 -2.058 6.045) 6.834 3.506 ( 2.433 2.058 6.045) 6.834 3.693 ( 2.893 -0.235 -1.005) 3.071 3.693 ( 2.893 0.235 -1.005) 3.071 =================== 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 3/11664 10.0 6.766 7.520 3.734 0.000 0.379 0.000 3/11664 20.0 1.394 1.560 0.814 0.000 0.063 0.000 3/11664 30.0 0.736 0.819 0.450 0.000 0.034 0.000 3/11664 40.0 0.510 0.565 0.324 0.000 0.025 0.000 3/11664 50.0 0.395 0.437 0.259 0.000 0.021 0.000 3/11664 60.0 0.325 0.358 0.217 0.000 0.018 0.000 3/11664 70.0 0.276 0.304 0.188 0.000 0.015 0.000 3/11664 80.0 0.241 0.265 0.166 0.000 0.014 0.000 3/11664 90.0 0.214 0.235 0.149 0.000 0.012 0.000 3/11664 100.0 0.192 0.211 0.134 0.000 0.011 0.000 3/11664 110.0 0.174 0.191 0.123 0.000 0.010 0.000 3/11664 120.0 0.160 0.175 0.113 0.000 0.009 0.000 3/11664 130.0 0.147 0.162 0.105 0.000 0.009 0.000 3/11664 140.0 0.137 0.150 0.097 0.000 0.008 0.000 3/11664 150.0 0.128 0.140 0.091 0.000 0.008 0.000 3/11664 160.0 0.120 0.131 0.086 0.000 0.007 0.000 3/11664 170.0 0.113 0.124 0.081 0.000 0.007 0.000 3/11664 180.0 0.106 0.117 0.076 0.000 0.006 0.000 3/11664 190.0 0.101 0.110 0.072 0.000 0.006 0.000 3/11664 200.0 0.096 0.105 0.069 0.000 0.006 0.000 3/11664 210.0 0.091 0.100 0.066 0.000 0.006 0.000 3/11664 220.0 0.087 0.095 0.063 0.000 0.005 0.000 3/11664 230.0 0.083 0.091 0.060 0.000 0.005 0.000 3/11664 240.0 0.080 0.087 0.058 0.000 0.005 0.000 3/11664 250.0 0.077 0.084 0.055 0.000 0.005 0.000 3/11664 260.0 0.074 0.081 0.053 0.000 0.005 0.000 3/11664 270.0 0.071 0.078 0.051 0.000 0.004 0.000 3/11664 280.0 0.068 0.075 0.049 0.000 0.004 0.000 3/11664 290.0 0.066 0.072 0.048 0.000 0.004 0.000 3/11664 300.0 0.064 0.070 0.046 0.000 0.004 0.000 3/11664 310.0 0.062 0.068 0.045 0.000 0.004 0.000 3/11664 320.0 0.060 0.066 0.043 0.000 0.004 0.000 3/11664 330.0 0.058 0.064 0.042 0.000 0.004 0.000 3/11664 340.0 0.056 0.062 0.041 0.000 0.003 0.000 3/11664 350.0 0.055 0.060 0.040 0.000 0.003 0.000 3/11664 360.0 0.053 0.058 0.039 0.000 0.003 0.000 3/11664 370.0 0.052 0.057 0.037 0.000 0.003 0.000 3/11664 380.0 0.050 0.055 0.036 0.000 0.003 0.000 3/11664 390.0 0.049 0.054 0.036 0.000 0.003 0.000 3/11664 400.0 0.048 0.052 0.035 0.000 0.003 0.000 3/11664 410.0 0.047 0.051 0.034 0.000 0.003 0.000 3/11664 420.0 0.046 0.050 0.033 0.000 0.003 0.000 3/11664 430.0 0.045 0.049 0.032 0.000 0.003 0.000 3/11664 440.0 0.044 0.048 0.032 0.000 0.003 0.000 3/11664 450.0 0.043 0.047 0.031 0.000 0.003 0.000 3/11664 460.0 0.042 0.046 0.030 0.000 0.003 0.000 3/11664 470.0 0.041 0.045 0.030 0.000 0.003 0.000 3/11664 480.0 0.040 0.044 0.029 0.000 0.002 0.000 3/11664 490.0 0.039 0.043 0.028 0.000 0.002 0.000 3/11664 500.0 0.038 0.042 0.028 0.000 0.002 0.000 3/11664 510.0 0.038 0.041 0.027 0.000 0.002 0.000 3/11664 520.0 0.037 0.040 0.027 0.000 0.002 0.000 3/11664 530.0 0.036 0.040 0.026 0.000 0.002 0.000 3/11664 540.0 0.035 0.039 0.026 0.000 0.002 0.000 3/11664 550.0 0.035 0.038 0.025 0.000 0.002 0.000 3/11664 560.0 0.034 0.037 0.025 0.000 0.002 0.000 3/11664 570.0 0.034 0.037 0.024 0.000 0.002 0.000 3/11664 580.0 0.033 0.036 0.024 0.000 0.002 0.000 3/11664 590.0 0.032 0.036 0.024 0.000 0.002 0.000 3/11664 600.0 0.032 0.035 0.023 0.000 0.002 0.000 3/11664 610.0 0.031 0.034 0.023 0.000 0.002 0.000 3/11664 620.0 0.031 0.034 0.022 0.000 0.002 0.000 3/11664 630.0 0.030 0.033 0.022 0.000 0.002 0.000 3/11664 640.0 0.030 0.033 0.022 0.000 0.002 0.000 3/11664 650.0 0.029 0.032 0.021 0.000 0.002 0.000 3/11664 660.0 0.029 0.032 0.021 0.000 0.002 0.000 3/11664 670.0 0.029 0.031 0.021 0.000 0.002 0.000 3/11664 680.0 0.028 0.031 0.020 0.000 0.002 0.000 3/11664 690.0 0.028 0.030 0.020 0.000 0.002 0.000 3/11664 700.0 0.027 0.030 0.020 0.000 0.002 0.000 3/11664 710.0 0.027 0.030 0.020 0.000 0.002 0.000 3/11664 720.0 0.027 0.029 0.019 0.000 0.002 0.000 3/11664 730.0 0.026 0.029 0.019 0.000 0.002 0.000 3/11664 740.0 0.026 0.028 0.019 0.000 0.002 0.000 3/11664 750.0 0.026 0.028 0.019 0.000 0.002 0.000 3/11664 760.0 0.025 0.028 0.018 0.000 0.002 0.000 3/11664 770.0 0.025 0.027 0.018 0.000 0.002 0.000 3/11664 780.0 0.025 0.027 0.018 0.000 0.002 0.000 3/11664 790.0 0.024 0.027 0.018 0.000 0.001 0.000 3/11664 800.0 0.024 0.026 0.017 0.000 0.001 0.000 3/11664 810.0 0.024 0.026 0.017 0.000 0.001 0.000 3/11664 820.0 0.023 0.026 0.017 0.000 0.001 0.000 3/11664 830.0 0.023 0.025 0.017 0.000 0.001 0.000 3/11664 840.0 0.023 0.025 0.017 0.000 0.001 0.000 3/11664 850.0 0.023 0.025 0.016 0.000 0.001 0.000 3/11664 860.0 0.022 0.024 0.016 0.000 0.001 0.000 3/11664 870.0 0.022 0.024 0.016 0.000 0.001 0.000 3/11664 880.0 0.022 0.024 0.016 0.000 0.001 0.000 3/11664 890.0 0.022 0.024 0.016 0.000 0.001 0.000 3/11664 900.0 0.021 0.023 0.015 0.000 0.001 0.000 3/11664 910.0 0.021 0.023 0.015 0.000 0.001 0.000 3/11664 920.0 0.021 0.023 0.015 0.000 0.001 0.000 3/11664 930.0 0.021 0.023 0.015 0.000 0.001 0.000 3/11664 940.0 0.020 0.022 0.015 0.000 0.001 0.000 3/11664 950.0 0.020 0.022 0.015 0.000 0.001 0.000 3/11664 960.0 0.020 0.022 0.014 0.000 0.001 0.000 3/11664 970.0 0.020 0.022 0.014 0.000 0.001 0.000 3/11664 980.0 0.020 0.021 0.014 0.000 0.001 0.000 3/11664 990.0 0.019 0.021 0.014 0.000 0.001 0.000 3/11664 1000.0 0.019 0.021 0.014 0.000 0.001 0.000 3/11664 Thermal conductivity related properties were written into "kappa-m663.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:10:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|