# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/ab53f965-e850-43cc-b569-2db92d31ab0c/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 NaNb2PS10 / C2/c (15) / materials id 557436](https://mdr.nims.go.jp/datasets/257d1487-e9db-4a55-b37c-8fbffcfb69a0)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 3 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 8Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 16Nb 92.00000000 11.00000000 PAW_PBE Nb_pv 08Apr2002 8P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 80S 32.06600000 6.00000000 PAW_PBE S 06Sep2000 vasp-settings/INCAR-relax PREC = Accurate GGA = PS IBRION = 2 NSW = 20 NELMIN = 5 ISIF = 3 ENCUT = 337.429300 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 Na Nb P S 1.0 24.9356873800000010 0.0000000000000000 -0.0751045400000000 0.0000000000000000 7.8448396899999997 0.0000000000000000 -0.1281158700000000 0.0000000000000000 12.8606657200000001 Na Nb P S 8 16 8 80Direct 0.0569081300000000 0.9972317400000000 0.1194642600000000 0.4430918700000000 0.4972317400000000 0.3805357400000000 0.0569081300000000 0.0027682600000000 0.6194642600000000 0.4430918700000000 0.5027682600000001 0.8805357400000000 0.5569081300000001 0.4972317400000000 0.1194642600000000 0.9430918699999999 0.9972317400000000 0.3805357400000000 0.5569081300000001 0.5027682600000001 0.6194642600000000 0.9430918699999999 0.0027682600000000 0.8805357400000000 0.3594283200000000 0.0667058600000000 0.2765558400000000 0.3591280600000000 0.0613730000000000 0.9861613200000000 0.1405716800000000 0.4332941400000000 0.7234441600000000 0.3591280600000000 0.9386270000000000 0.4861613200000000 0.3594283200000000 0.9332941400000000 0.7765558400000000 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0.5517277500000000 0.1295968200000000 0.9313849900000000 0.6212821800000000 0.4188593400000000 0.5686150100000000 0.1212821800000000 0.0811406600000000 0.9468457900000000 0.9096443800000000 0.6280359700000000 0.8506523500000001 0.1079343900000000 0.7611871299999999 0.7882160600000000 0.3832122800000000 0.3549014500000000 0.8424971700000000 0.3509976900000000 0.1323284900000000 0.7882160600000000 0.6167877200000000 0.8549014500000001 0.6493476499999999 0.3920656100000000 0.2388128700000000 0.6493476499999999 0.6079343900000000 0.7388128700000001 0.5705360600000000 0.8492416600000000 0.8674259200000000 0.6575028300000000 0.1490023100000000 0.8676715100000000 0.7113822000000001 0.8729101900000000 0.5952445100000000 0.5686150100000000 0.8787178200000000 0.5811406600000000 0.7898922500000000 0.4482722500000000 0.6295968199999999 0.8506523500000001 0.8920656100000000 0.2611871300000000 0.5705360600000000 0.1507583400000000 0.3674259200000000 0.7113822000000001 0.1270898100000000 0.0952445100000000 0.7117839400000000 0.1167877200000000 0.6450985499999999 0.5531542100000000 0.4096443800000000 0.8719640300000000 0.5676557799999999 0.1124990200000000 0.6501215300000001 0.9468457900000000 0.0903556200000000 0.1280359700000000 0.9323442200000001 0.6124990200000000 0.8498784699999999 0.6575028300000000 0.8509976900000000 0.3676715100000000 0.7886178000000000 0.6270898100000000 0.4047554900000000 0.8424971700000000 0.6490023100000000 0.6323284900000000 0.5676557799999999 0.8875009800000000 0.1501215300000000 0.5531542100000000 0.5903556200000000 0.3719640300000000 0.8500209900000000 0.8867450000000000 0.9956973500000000 0.9313849900000000 0.3787178200000000 0.9188593400000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 337.429300 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 1 2 2 0.000 0.000 0.000