# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/ec3d81f6-67b3-4b25-b313-b44fae41f315/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 In5(BiS4)3 / C2/m (12) / materials id 504646](https://mdr.nims.go.jp/datasets/7381335c-4948-4bb9-9864-1d5c81cbd0a8)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 5 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 12Bi 208.98000000 5.00000000 PAW_PBE Bi 08Apr2002 20In 114.82000000 13.00000000 PAW_PBE In_d 06Sep2000 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 Bi In S 1.0 32.8652149300000005 0.0000000000000000 0.0084347800000000 0.0000000000000000 3.8695375900000002 0.0000000000000000 -0.1403018300000000 0.0000000000000000 14.2179345700000006 Bi In S 12 20 48Direct 0.3683934900000000 0.5000000000000000 0.5177614100000000 0.1316065100000000 0.0000000000000000 0.4822385900000000 0.1811723700000000 0.5000000000000000 0.2300028200000000 0.3188276300000000 0.0000000000000000 0.7699971800000001 0.4461931300000000 0.0000000000000000 0.2847564000000000 0.0538068700000000 0.5000000000000000 0.7152436000000000 0.8683934900000000 0.0000000000000000 0.5177614100000000 0.6316065100000000 0.5000000000000000 0.4822385900000000 0.6811723700000001 0.0000000000000000 0.2300028200000000 0.8188276300000000 0.5000000000000000 0.7699971800000001 0.9461931300000000 0.5000000000000000 0.2847564000000000 0.5538068700000001 0.0000000000000000 0.7152436000000000 0.0000000000000000 0.0000000000000000 0.5000000000000000 0.5000000000000000 0.5000000000000000 0.0000000000000000 0.2830098800000000 0.5000000000000000 0.0845397800000000 0.2169901200000000 0.0000000000000000 0.9154602200000000 0.0981778700000000 0.5000000000000000 0.9954146100000000 0.4018221300000000 0.0000000000000000 0.0045853900000000 0.3253712000000000 0.0000000000000000 0.2854320200000000 0.1746288000000000 0.5000000000000000 0.7145679800000000 0.0711593000000000 0.0000000000000000 0.2227128400000000 0.4288407000000000 0.5000000000000000 0.7772871600000000 0.5000000000000000 0.5000000000000000 0.5000000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.7830098800000000 0.0000000000000000 0.0845397800000000 0.7169901200000000 0.5000000000000000 0.9154602200000000 0.5981778700000000 0.0000000000000000 0.9954146100000000 0.9018221300000000 0.5000000000000000 0.0045853900000000 0.8253712000000000 0.5000000000000000 0.2854320200000000 0.6746288000000000 0.0000000000000000 0.7145679800000000 0.5711592999999999 0.5000000000000000 0.2227128400000000 0.9288407000000000 0.0000000000000000 0.7772871600000000 0.0054465600000000 0.0000000000000000 0.3172752100000000 0.4945534400000000 0.5000000000000000 0.6827247900000000 0.4374167400000000 0.5000000000000000 0.1021715300000000 0.0625832600000000 0.0000000000000000 0.8978284700000000 0.3849161400000000 0.5000000000000000 0.3182806700000000 0.1150838600000000 0.0000000000000000 0.6817193300000000 0.2757726200000000 0.5000000000000000 0.2648798800000000 0.2242273800000000 0.0000000000000000 0.7351201199999999 0.1044304100000000 0.5000000000000000 0.3142712900000000 0.3955695900000000 0.0000000000000000 0.6857287100000000 0.0340990100000000 0.5000000000000000 0.1059404000000000 0.4659009900000000 0.0000000000000000 0.8940596000000000 0.4461814600000000 0.0000000000000000 0.4727842500000000 0.0538185400000000 0.5000000000000000 0.5272157500000000 0.3375802800000000 0.0000000000000000 0.1047244300000000 0.1624197200000000 0.5000000000000000 0.8952755700000000 0.1944962500000000 0.0000000000000000 0.3526161900000000 0.3055037500000000 0.5000000000000000 0.6473838100000000 0.1268455300000000 0.0000000000000000 0.1035274400000000 0.3731544700000000 0.5000000000000000 0.8964725600000000 0.2272116200000000 0.0000000000000000 0.0913784700000000 0.2727883800000000 0.5000000000000000 0.9086215300000000 0.3186478800000000 0.0000000000000000 0.4637876400000000 0.1813521200000000 0.5000000000000000 0.5362123600000002 0.5054465600000000 0.5000000000000000 0.3172752100000000 0.9945534400000000 0.0000000000000000 0.6827247900000000 0.9374167400000000 0.0000000000000000 0.1021715300000000 0.5625832600000000 0.5000000000000000 0.8978284700000000 0.8849161400000000 0.0000000000000000 0.3182806700000000 0.6150838599999999 0.5000000000000000 0.6817193300000000 0.7757726200000000 0.0000000000000000 0.2648798800000000 0.7242273800000000 0.5000000000000000 0.7351201199999999 0.6044304100000000 0.0000000000000000 0.3142712900000000 0.8955695900000000 0.5000000000000000 0.6857287100000000 0.5340990100000000 0.0000000000000000 0.1059404000000000 0.9659009900000000 0.5000000000000000 0.8940596000000000 0.9461814600000000 0.5000000000000000 0.4727842500000000 0.5538185400000000 0.0000000000000000 0.5272157500000000 0.8375802800000001 0.5000000000000000 0.1047244300000000 0.6624197199999999 0.0000000000000000 0.8952755700000000 0.6944962500000000 0.5000000000000000 0.3526161900000000 0.8055037500000000 0.0000000000000000 0.6473838100000000 0.6268455300000000 0.5000000000000000 0.1035274400000000 0.8731544700000000 0.0000000000000000 0.8964725600000000 0.7272116200000001 0.5000000000000000 0.0913784700000000 0.7727883799999999 0.0000000000000000 0.9086215300000000 0.8186478800000000 0.5000000000000000 0.4637876400000000 0.6813521200000000 0.0000000000000000 0.5362123600000002vasp-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 1 5 1 0.000 0.000 0.000