# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/ed9b333f-1f5e-4eda-8f45-b738d5dec87d/download)

## Creator

[Atsushi Togo](https://orcid.org/0000-0001-8393-9766)

## Rights

Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/)

## Other metadata

[Ab-initio phonon calculation for Na3WN3 / Cc (9) / materials id 16839](https://mdr.nims.go.jp/datasets/8e1993d8-0584-473d-9d63-c34ea26b17a4)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  48</c><c>N </c><c>     14.00100000</c><c>      5.00000000</c><c>  PAW_PBE N 08Apr2002                   </c></rc>    <rc><c>  48</c><c>Na</c><c>     22.99000000</c><c>      7.00000000</c><c>  PAW_PBE Na_pv 19Sep2006               </c></rc>    <rc><c>  16</c><c>W </c><c>    183.85000000</c><c>     14.00000000</c><c>  PAW_PBE W_sv 04Sep2015                </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 520.000000     EDIFF = 1.000000e-08    EDIFFG = -1.000000e-08    ISMEAR = 0     SIGMA = 1.000000e-02     IALGO = 38     LREAL = .FALSE.   ADDGRID = .TRUE.     LWAVE = .FALSE.    LCHARG = .FALSE.      NPAR = 4vasp-settings/POSCAR-unitcell N Na W   1.0    13.6933402100000006    0.0000000000000000    0.0131791700000000     0.0000000000000000   11.0051842400000002    0.0000000000000000    -2.9040258099999998    0.0000000000000000    5.6668572199999998 N Na W  24  24   8Direct   0.1498018100000000  0.1994157600000000  0.0519146300000000   0.1498018100000000  0.8005842400000001  0.5519146300000000   0.8958742400000000  0.2241450200000000  0.6659390300000000   0.8958742400000000  0.7758549800000000  0.1659390300000000   0.7553654800000000  0.6097756999999999  0.7543267100000000   0.7553654800000000  0.3902243000000000  0.2543267100000000   0.9630552400000000  0.8671828400000000  0.6657928799999999   0.9630552400000000  0.1328171600000000  0.1657928800000000   0.9960166900000000  0.6073940600000001  0.5915079599999999   0.9960166900000000  0.3926059400000000  0.0915079600000000   0.2016745800000000  0.3707476500000000  0.7263252000000000   0.2016745800000000  0.6292523500000000  0.2263252000000000   0.6498018100000000  0.6994157599999999  0.0519146300000000   0.6498018100000000  0.3005842400000000  0.5519146300000000   0.3958742400000000  0.7241450199999999  0.6659390300000000   0.3958742400000000  0.2758549800000000  0.1659390300000000   0.2553654800000000  0.1097757000000000  0.7543267100000000   0.2553654800000000  0.8902243000000000  0.2543267100000000   0.4630552400000000  0.3671828400000000  0.6657928799999999   0.4630552400000000  0.6328171600000000  0.1657928800000000   0.4960166900000000  0.1073940600000000  0.5915079599999999   0.4960166900000000  0.8926059400000000  0.0915079600000000   0.7016745799999999  0.8707476500000000  0.7263252000000000   0.7016745799999999  0.1292523500000000  0.2263252000000000   0.3852630300000000  0.5354272600000001  0.3948221800000000   0.3852630300000000  0.4645727400000000  0.8948221800000000   0.6366259000000001  0.4793477800000000  0.8655729800000000   0.6366259000000001  0.5206522200000000  0.3655729800000000   0.8769858100000000  0.4825089700000000  0.6906234000000000   0.8769858100000000  0.5174910300000000  0.1906234000000000   0.1197707100000000  0.4847744600000000  0.9280153500000000   0.1197707100000000  0.5152255400000000  0.4280153500000000   0.0080080200000000  0.2876919200000000  0.4690855100000000   0.0080080200000000  0.7123080800000000  0.9690855100000000   0.7664054200000000  0.7640893900000000  0.4677709900000000   0.7664054200000000  0.2359106100000000  0.9677709900000000   0.8852630300000000  0.0354272600000000  0.3948221800000000   0.8852630300000000  0.9645727400000000  0.8948221800000000   0.1366259000000000  0.9793477800000000  0.8655729800000000   0.1366259000000000  0.0206522200000000  0.3655729800000000   0.3769858100000000  0.9825089700000000  0.6906234000000000   0.3769858100000000  0.0174910300000000  0.1906234000000000   0.6197707100000001  0.9847744600000000  0.9280153500000000   0.6197707100000001  0.0152255400000000  0.4280153500000000   0.5080080200000000  0.7876919200000000  0.4690855100000000   0.5080080200000000  0.2123080800000000  0.9690855100000000   0.2664054200000000  0.2640893900000000  0.4677709900000000   0.2664054200000000  0.7359106100000000  0.9677709900000000   0.7489603200000000  0.7402509300000000  0.9242630000000001   0.7489603200000000  0.2597490700000000  0.4242630000000000   0.0011627000000000  0.7620396300000000  0.4922402200000000   0.0011627000000000  0.2379603700000000  0.9922402200000000   0.2489603200000000  0.2402509300000000  0.9242630000000001   0.2489603200000000  0.7597490700000000  0.4242630000000000   0.5011627000000001  0.2620396300000000  0.4922402200000000   0.5011627000000001  0.7379603699999999  0.9922402200000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 520.000000     EDIFF = 1.000000e-08    ISMEAR = 0     SIGMA = 1.000000e-02     IALGO = 38     LREAL = .FALSE.   ADDGRID = .TRUE.     LWAVE = .FALSE.    LCHARG = .FALSE.      NPAR = 4vasp-settings/KPOINTS-relaxAutomatic mesh0Gamma     2     2     3 0.000 0.000 0.000