# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/8a69e8b7-b75e-4400-981b-93fc5a396810/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 Sr6Sb6S17 / P2_12_12_1 (19) / materials id 16061](https://mdr.nims.go.jp/datasets/045ad3b1-ecaa-4b6c-8988-cbba51fd721d)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 1 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 68S 32.06600000 6.00000000 PAW_PBE S 06Sep2000 24Sr 87.62000000 10.00000000 PAW_PBE Sr_sv 07Sep2000 24Sb 121.75000000 5.00000000 PAW_PBE Sb 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 S Sr Sb 1.0 8.1433812200000002 0.0000000000000000 -0.0000000400000000 0.0000000000000000 15.2619232100000009 0.0000000000000000 -0.0000000200000000 0.0000000000000000 22.6123853699999984 S Sr Sb 68 24 24Direct 0.5004077499999999 0.7062912100000001 0.9290209000000000 0.0004077400000000 0.7937087899999999 0.0709790900000000 0.4995922500000000 0.2062912100000000 0.5709791000000000 0.9995922600000000 0.2937087900000000 0.4290209100000000 0.3621089900000000 0.7508708700000000 0.0007198300000000 0.8621089900000000 0.7491291300000000 0.9992801600000000 0.6378910099999999 0.2508708700000000 0.4992801700000000 0.1378910100000000 0.2491291300000000 0.5007198400000000 0.0024048600000000 0.7046662500000000 0.9281731000000000 0.5024048500000000 0.7953337500000000 0.0718269000000000 0.9975951400000000 0.2046662500000000 0.5718269000000000 0.4975951500000000 0.2953337500000000 0.4281731000000000 0.2494704600000000 0.5273258900000000 0.6661617300000000 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0.0913854100000000 0.4999161700000000 0.3258740600000000 0.9383011500000000 0.9999161500000000 0.1741259500000000 0.0616988500000000 0.5000838300000000 0.8258740600000000 0.5616988500000000 0.0000838500000000 0.6741259500000000 0.4383011500000000 0.9906733400000000 0.8192991800000000 0.5834553200000000 0.4906733400000000 0.6807008200000000 0.4165446800000000 0.0093266600000000 0.3192991800000000 0.9165446800000000 0.5093266599999999 0.1807008200000000 0.0834553200000000 0.0069692300000000 0.7091088000000000 0.7308747400000000 0.5069692299999999 0.7908912000000000 0.2691252600000000 0.9930307700000000 0.2091088000000000 0.7691252600000000 0.4930307700000000 0.2908912000000000 0.2308747400000000 0.4968853300000000 0.6962252600000001 0.7458265399999999 0.9968853400000000 0.8037747399999999 0.2541734600000000 0.5031146700000000 0.1962252600000000 0.7541734600000000 0.0031146600000000 0.3037747400000000 0.2458265400000000vasp-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 2 1 1 0.000 0.000 0.000