# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/b8df5990-33f5-4b52-9c41-40b2845e9632/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 Tb4(SiS4)3 / P2_1/c (14) / materials id 16402](https://mdr.nims.go.jp/datasets/412c42bc-0708-49de-a31f-66ae3475744e)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 12Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001 48S 32.06600000 6.00000000 PAW_PBE S 06Sep2000 16Tb 158.92500000 9.00000000 PAW_PBE Tb_3 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 Si S Tb 1.0 9.7702606099999993 0.0000000000000000 -0.0561022700000000 0.0000000000000000 10.8722457800000001 0.0000000000000000 -6.0331417700000003 0.0000000000000000 15.8522335400000003 Si S Tb 12 48 16Direct 0.9751807600000000 0.2145135400000000 0.7664504900000000 0.0248192400000000 0.7145135400000000 0.7335495100000000 0.0248192400000000 0.7854864600000000 0.2335495100000000 0.9751807600000000 0.2854864600000000 0.2664504900000000 0.2586947900000000 0.3831061600000000 0.0601163600000000 0.7413052099999999 0.8831061600000000 0.4398836400000000 0.7413052099999999 0.6168938400000000 0.9398836400000000 0.2586947900000000 0.1168938400000000 0.5601163600000000 0.6038656700000000 0.0540716000000000 0.8830056800000000 0.3961343300000000 0.5540716000000000 0.6169943200000000 0.3961343300000000 0.9459284000000000 0.1169943200000000 0.6038656700000000 0.4459284000000000 0.3830056800000000 0.0704333900000000 0.0390877900000000 0.8116928100000000 0.9295666100000000 0.5390877900000000 0.6883071900000000 0.9295666100000000 0.9609122100000000 0.1883071900000000 0.0704333900000000 0.4609122100000000 0.3116928100000000 0.1838450600000000 0.5611719399999999 0.0272753100000000 0.8161549400000000 0.0611719400000000 0.4727246900000000 0.8161549400000000 0.4388280600000000 0.9727246899999999 0.1838450600000000 0.9388280600000000 0.5272753100000001 0.5224008800000000 0.2336056000000000 0.8731506900000000 0.4775991200000000 0.7336056000000000 0.6268493100000000 0.4775991200000000 0.7663944000000000 0.1268493100000000 0.5224008800000000 0.2663944000000000 0.3731506900000000 0.1864022000000000 0.9745346400000000 0.0217159000000000 0.8135978000000000 0.4745346400000000 0.4782841000000000 0.8135978000000000 0.0254653600000000 0.9782841000000000 0.1864022000000000 0.5254653600000000 0.5217159000000000 0.6201300900000000 0.9775592800000000 0.7705391400000000 0.3798699100000000 0.4775592800000000 0.7294608600000000 0.3798699100000000 0.0224407200000000 0.2294608600000000 0.6201300900000000 0.5224407200000001 0.2705391400000000 0.4471827300000000 0.9351242200000001 0.9071725500000000 0.5528172700000000 0.4351242200000000 0.5928274499999999 0.5528172700000000 0.0648757800000000 0.0928274500000000 0.4471827300000000 0.5648757799999999 0.4071725500000000 0.4629211300000000 0.3459500800000000 0.0527319600000000 0.5370788700000000 0.8459500799999999 0.4472680400000000 0.5370788700000000 0.6540499200000001 0.9472680400000000 0.4629211300000000 0.1540499200000000 0.5527319600000000 0.0949102200000000 0.2594562400000000 0.9845019400000000 0.9050897800000000 0.7594562400000000 0.5154980600000000 0.9050897800000000 0.7405437600000000 0.0154980600000000 0.0949102200000000 0.2405437600000000 0.4845019400000000 0.1606463100000000 0.3364246800000000 0.8128958900000001 0.8393536900000000 0.8364246800000000 0.6871041099999999 0.8393536900000000 0.6635753200000001 0.1871041100000000 0.1606463100000000 0.1635753200000000 0.3128958900000000 0.1130713800000000 0.7127011200000000 0.8664049200000000 0.8869286199999999 0.2127011200000000 0.6335950800000000 0.8869286199999999 0.2872988800000000 0.1335950800000000 0.1130713800000000 0.7872988800000000 0.3664049200000000 0.7367405899999999 0.6529528200000000 0.8147964100000000 0.2632594100000000 0.1529528200000000 0.6852035900000000 0.2632594100000000 0.3470471800000000 0.1852035900000000 0.7367405899999999 0.8470471800000000 0.3147964100000000 0.8126899300000000 0.2748239500000000 0.8122024700000000 0.1873100700000000 0.7748239500000000 0.6877975300000000 0.1873100700000000 0.7251760500000000 0.1877975300000000 0.8126899300000000 0.2251760500000000 0.3122024700000000 0.5305926100000000 0.2618322800000000 0.7098979000000001 0.4694073900000000 0.7618322800000000 0.7901021000000000 0.4694073900000000 0.7381677200000001 0.2901021000000000 0.5305926100000000 0.2381677200000000 0.2098979000000000 0.8999075599999999 0.8750143200000000 0.8689448600000000 0.1000924400000000 0.3750143200000000 0.6310551400000000 0.1000924400000000 0.1249856800000000 0.1310551400000000 0.8999075599999999 0.6249856800000000 0.3689448600000000 0.3162073900000000 0.1517923400000000 0.9406066199999999 0.6837926100000000 0.6517923400000001 0.5593933799999999 0.6837926100000000 0.8482076600000000 0.0593933800000000 0.3162073900000000 0.3482076600000000 0.4406066200000000 0.9843259100000000 0.4829925500000000 0.8746002300000000 0.0156740900000000 0.9829925500000000 0.6253997700000000 0.0156740900000000 0.5170074499999999 0.1253997700000000 0.9843259100000000 0.0170074500000000 0.3746002300000000vasp-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 2 1 0.000 0.000 0.000