# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/1d689ec2-b955-4ddc-a62e-b84dddd12148/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 Al2S3 / I4_1/amd (141) / materials id 684638](https://mdr.nims.go.jp/datasets/eb1d24ad-6448-4316-aae2-e7f8617af57b)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 3 3 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 32Al 26.98100000 3.00000000 PAW_PBE Al 04Jan2001 48S 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 = 336.295700 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 Al S 1.0 7.0169495399999997 0.0000000000000000 0.0000000000000000 0.0000000000000000 7.0169495399999997 0.0000000000000000 0.0000000000000000 0.0000000000000000 29.8559311500000000 Al S 32 48Direct 0.5000000000000000 0.0000000000000000 0.5795717700000000 0.0000000000000000 0.5000000000000000 0.4204282300000000 0.5000000000000000 0.2289064000000000 0.4568231900000000 0.5000000000000000 0.5000000000000000 0.3295717700000000 0.2710936000000000 0.5000000000000000 0.2068231900000000 0.0000000000000000 0.7710935999999999 0.2931768100000000 0.0000000000000000 0.0000000000000000 0.1704282300000000 0.2289064000000000 0.5000000000000000 0.5431768100000001 0.7289064000000001 0.5000000000000000 0.2068231900000000 0.5000000000000000 0.7500000000000000 0.1250000000000000 0.5000000000000000 0.2500000000000000 0.1250000000000000 0.7500000000000000 0.0000000000000000 0.3750000000000000 0.7710935999999999 0.5000000000000000 0.5431768100000001 0.5000000000000000 0.7710935999999999 0.4568231900000000 0.2500000000000000 0.0000000000000000 0.3750000000000000 0.0000000000000000 0.2289064000000000 0.2931768100000000 0.0000000000000000 0.5000000000000000 0.0795717700000000 0.5000000000000000 0.0000000000000000 0.9204282300000000 0.0000000000000000 0.7289064000000001 0.9568231900000000 0.0000000000000000 0.0000000000000000 0.8295717700000000 0.7710935999999999 0.0000000000000000 0.7068231899999999 0.5000000000000000 0.2710936000000000 0.7931768100000001 0.5000000000000000 0.5000000000000000 0.6704282300000000 0.7289064000000001 0.0000000000000000 0.0431768100000000 0.2289064000000000 0.0000000000000000 0.7068231899999999 0.0000000000000000 0.2500000000000000 0.6250000000000000 0.0000000000000000 0.7500000000000000 0.6250000000000000 0.2500000000000000 0.5000000000000000 0.8750000000000000 0.2710936000000000 0.0000000000000000 0.0431768100000000 0.0000000000000000 0.2710936000000000 0.9568231900000000 0.7500000000000000 0.5000000000000000 0.8750000000000000 0.5000000000000000 0.7289064000000001 0.7931768100000001 0.5000000000000000 0.2422945300000000 0.3755885900000000 0.2292980700000000 0.5000000000000000 0.2880336800000000 0.0000000000000000 0.2422945300000000 0.3744114100000000 0.0000000000000000 0.7292980700000000 0.2119663200000000 0.7707019300000000 0.5000000000000000 0.2880336800000000 0.7422945300000000 0.0000000000000000 0.1244114100000000 0.7422945300000000 0.5000000000000000 0.1255885900000000 0.0000000000000000 0.2600723100000000 0.5466366400000000 0.5000000000000000 0.7399276900000000 0.2033633600000000 0.0000000000000000 0.7399276900000000 0.5466366400000000 0.2577054700000000 0.5000000000000000 0.1255885900000000 0.2577054700000000 0.0000000000000000 0.1244114100000000 0.7399276900000000 0.0000000000000000 0.4533633600000000 0.7292980700000000 0.5000000000000000 0.4619663200000000 0.5000000000000000 0.7577054700000000 0.3755885900000000 0.5000000000000000 0.2707019300000000 0.5380336800000001 0.5000000000000000 0.7292980700000000 0.5380336800000001 0.2707019300000000 0.5000000000000000 0.4619663200000000 0.2600723100000000 0.0000000000000000 0.4533633600000000 0.2399276900000000 0.0000000000000000 0.2966366400000000 0.0000000000000000 0.7577054700000000 0.3744114100000000 0.0000000000000000 0.2707019300000000 0.2119663200000000 0.7600723100000000 0.0000000000000000 0.2966366400000000 0.5000000000000000 0.2600723100000000 0.2033633600000000 0.0000000000000000 0.7422945300000000 0.8755885900000000 0.7292980700000000 0.0000000000000000 0.7880336800000000 0.5000000000000000 0.7422945300000000 0.8744114100000000 0.5000000000000000 0.2292980700000000 0.7119663199999999 0.2707019300000000 0.0000000000000000 0.7880336800000000 0.2422945300000000 0.5000000000000000 0.6244114100000000 0.2422945300000000 0.0000000000000000 0.6255885900000000 0.5000000000000000 0.7600723100000000 0.0466366400000000 0.0000000000000000 0.2399276900000000 0.7033633600000000 0.5000000000000000 0.2399276900000000 0.0466366400000000 0.7577054700000000 0.0000000000000000 0.6255885900000000 0.7577054700000000 0.5000000000000000 0.6244114100000000 0.2399276900000000 0.5000000000000000 0.9533633600000000 0.2292980700000000 0.0000000000000000 0.9619663200000000 0.0000000000000000 0.2577054700000000 0.8755885900000000 0.0000000000000000 0.7707019300000000 0.0380336800000000 0.0000000000000000 0.2292980700000000 0.0380336800000000 0.7707019300000000 0.0000000000000000 0.9619663200000000 0.7600723100000000 0.5000000000000000 0.9533633600000000 0.7399276900000000 0.5000000000000000 0.7966366400000000 0.5000000000000000 0.2577054700000000 0.8744114100000000 0.5000000000000000 0.7707019300000000 0.7119663199999999 0.2600723100000000 0.5000000000000000 0.7966366400000000 0.0000000000000000 0.7600723100000000 0.7033633600000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 336.295700 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 3 3 1 0.000 0.000 0.000