# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/0805bd84-eae1-4739-9bc1-2cdf5b4d30aa/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 ZnS / P3m1 (156) / materials id 582680](https://mdr.nims.go.jp/datasets/c210a6c3-1419-43a8-a222-c262bcc2a9f5)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 6 6 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 36Zn 65.39000000 12.00000000 PAW_PBE Zn 06Sep2000 36S 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 = 359.739900 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 Zn S 1.0 3.7861547099999999 0.0000000000000000 0.0000000000000000 -1.8930773599999999 3.2789061600000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 111.3473094099999940 Zn S 36 36Direct 0.0000000000000000 0.0000000000000000 0.1666523900000000 0.6666666700000000 0.3333333300000000 0.9166672500000000 0.3333333300000000 0.6666666700000000 0.3333367800000000 0.6666666700000000 0.3333333300000000 0.3611002400000000 0.3333333300000000 0.6666666700000000 0.1388854200000000 0.3333333300000000 0.6666666700000000 0.9722363000000001 0.6666666700000000 0.3333333300000000 0.5555585800000000 0.0000000000000000 0.0000000000000000 0.3888590300000000 0.0000000000000000 0.0000000000000000 0.9444310400000000 0.0000000000000000 0.0000000000000000 0.4444719900000000 0.6666666700000000 0.3333333300000000 0.2777649200000000 0.0000000000000000 0.0000000000000000 0.6666409500000000 0.6666666700000000 0.3333333300000000 0.0278130500000000 0.0000000000000000 0.0000000000000000 0.5277559400000000 0.3333333300000000 0.6666666700000000 0.8889037300000000 0.3333333300000000 0.6666666700000000 0.6111214700000001 0.6666666700000000 0.3333333300000000 0.6388822000000001 0.0000000000000000 0.0000000000000000 0.5833692600000000 0.6666666700000000 0.3333333300000000 0.1944207600000000 0.6666666700000000 0.3333333300000000 0.4722281700000000 0.3333333300000000 0.6666666700000000 0.2221913500000000 0.3333333300000000 0.6666666700000000 0.0555833100000000 0.0000000000000000 0.0000000000000000 0.3055796600000000 0.0000000000000000 0.0000000000000000 0.0000522000000000 0.6666666700000000 0.3333333300000000 0.1111184500000000 0.0000000000000000 0.0000000000000000 0.8055389800000000 0.0000000000000000 0.0000000000000000 0.7222547100000001 0.0000000000000000 0.0000000000000000 0.0833515800000000 0.3333333300000000 0.6666666700000000 0.7777759900000000 0.3333333300000000 0.6666666700000000 0.6944423399999999 0.3333333300000000 0.6666666700000000 0.4166599100000000 0.6666666700000000 0.3333333300000000 0.8333415000000000 0.0000000000000000 0.0000000000000000 0.2499587000000000 0.3333333300000000 0.6666666700000000 0.4999936300000000 0.6666666700000000 0.3333333300000000 0.7500106400000000 0.0000000000000000 0.0000000000000000 0.8611517600000000 0.0000000000000000 0.0000000000000000 0.4652866000000000 0.6666666700000000 0.3333333300000000 0.3819216900000000 0.3333333300000000 0.6666666700000000 0.7985991100000001 0.3333333300000000 0.6666666700000000 0.5208163500000000 0.6666666700000000 0.3333333300000000 0.9374906199999999 0.3333333300000000 0.6666666700000000 0.9930978800000000 0.6666666700000000 0.3333333300000000 0.1319421700000000 0.6666666700000000 0.3333333300000000 0.5764180600000000 0.3333333300000000 0.6666666700000000 0.9097260400000000 0.0000000000000000 0.0000000000000000 0.3263946500000000 0.0000000000000000 0.0000000000000000 0.1041750400000000 0.6666666700000000 0.3333333300000000 0.2152457800000000 0.3333333300000000 0.6666666700000000 0.7153025200000001 0.3333333300000000 0.6666666700000000 0.0764077400000000 0.3333333300000000 0.6666666700000000 0.2430158700000000 0.3333333300000000 0.6666666700000000 0.4375201000000000 0.6666666700000000 0.3333333300000000 0.0486380400000000 0.0000000000000000 0.0000000000000000 0.6041822400000000 0.0000000000000000 0.0000000000000000 0.4096791100000000 0.0000000000000000 0.0000000000000000 0.8819645400000000 0.3333333300000000 0.6666666700000000 0.1597093500000000 0.6666666700000000 0.3333333300000000 0.2986260200000000 0.3333333300000000 0.6666666700000000 0.6319425800000000 0.6666666700000000 0.3333333300000000 0.8542008500000000 0.6666666700000000 0.3333333300000000 0.6597037000000000 0.0000000000000000 0.0000000000000000 0.8263594400000001 0.6666666700000000 0.3333333300000000 0.7708336000000000 0.0000000000000000 0.0000000000000000 0.9652527800000000 0.0000000000000000 0.0000000000000000 0.2707809200000000 0.0000000000000000 0.0000000000000000 0.7430692400000001 0.6666666700000000 0.3333333300000000 0.4930511600000000 0.0000000000000000 0.0000000000000000 0.0208686000000000 0.3333333300000000 0.6666666700000000 0.3541590500000000 0.0000000000000000 0.0000000000000000 0.5485766000000001 0.0000000000000000 0.0000000000000000 0.6874610999999999 0.0000000000000000 0.0000000000000000 0.1874766200000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 359.739900 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 6 6 1 0.000 0.000 0.000