# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/4bad4ed5-56e9-492a-bb46-617f26aaf579/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 Na2SnSe3 / Pnma (62) / materials id 571470](https://mdr.nims.go.jp/datasets/41bcc51a-52bc-42ff-8eb7-cf495940e0e7)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 1 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 48Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 24Sn 118.71000000 14.00000000 PAW_PBE Sn_d 06Sep2000 72Se 78.96000000 6.00000000 PAW_PBE Se 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 Sn Se 1.0 13.8879006199999999 0.0000000000000000 0.0000000000000000 0.0000000000000000 23.8058001499999996 0.0000000000000000 0.0000000000000000 0.0000000000000000 12.3285421799999995 Na Sn Se 48 24 72Direct 0.6729595600000000 0.3335667700000000 0.3760075100000000 0.1236307800000000 0.9826459500000000 0.0699877800000000 0.4122597300000000 0.1552269300000000 0.5793671499999999 0.9122597300000000 0.1552269300000000 0.9206328500000001 0.1070370300000000 0.4880440900000000 0.4398205800000000 0.6214023799999999 0.6698228500000001 0.1141461100000000 0.1729595600000000 0.1664332300000000 0.1239924900000000 0.3763692200000000 0.4826459500000000 0.5699877799999999 0.9055942600000000 0.6696175700000000 0.5719080800000000 0.8785976200000000 0.3301771500000000 0.6141461100000001 0.1236307800000000 0.5173540500000000 0.0699877800000000 0.6214023799999999 0.8301771500000000 0.1141461100000000 0.3763692200000000 0.0173540500000000 0.5699877799999999 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0.0697756600000000 0.7264533500000000 0.5595382099999999 0.2500000000000000 0.2488762500000000 0.2154692500000000 0.0971749500000000 0.5598793799999999 0.4719226300000000 0.5867831100000001 0.5689962800000000 0.9384443099999999 0.4141530200000000 0.4186285200000000 0.2032194100000000 0.4987471000000000 0.8342167300000000 0.2845307500000000 0.9028250500000000 0.0598793800000000 0.1451139800000000 0.7500000000000000 0.2005753300000000 0.9384443099999999 0.0858469800000000 0.4186285200000000 0.8501101200000000 0.6673984200000000 0.1356064000000000vasp-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 1 2 0.000 0.000 0.000