# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/d94d16b5-7e87-4ef8-b3e2-2e5a973f7a5f/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 In3SnI5 / C2/c (15) / materials id 28871](https://mdr.nims.go.jp/datasets/967f23fa-b8b3-4d6e-ada1-f7227e5ee6e0)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 2 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 48In 114.82000000 13.00000000 PAW_PBE In_d 06Sep2000 16Sn 118.71000000 14.00000000 PAW_PBE Sn_d 06Sep2000 80I 126.90400000 7.00000000 PAW_PBE I 08Apr2002 vasp-settings/INCAR-relax PREC = Accurate GGA = PS IBRION = 2 NSW = 20 NELMIN = 5 ISIF = 3 ENCUT = 313.407900 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 In Sn I 1.0 12.2587699600000004 0.0000000000000000 -0.0480129700000000 0.0000000000000000 12.2719295800000001 0.0000000000000000 -3.2046511000000000 0.0000000000000000 17.0625136399999988 In Sn I 24 8 40Direct 0.5000000000000000 0.5272843600000000 0.7500000000000000 0.5000000000000000 0.4727156400000000 0.2500000000000000 0.3646708400000000 0.8922119400000000 0.7478971999999999 0.6353291599999999 0.8922119400000000 0.7521028000000000 0.6353291599999999 0.1077880600000000 0.2521028000000000 0.3646708400000000 0.1077880600000000 0.2478972000000000 0.5000000000000000 0.2564888600000000 0.7500000000000000 0.5000000000000000 0.7435111400000001 0.2500000000000000 0.6792073199999999 0.1281347800000000 0.5295384400000001 0.3207926800000000 0.1281347800000000 0.9704615599999999 0.3207926800000000 0.8718652200000000 0.4704615600000000 0.6792073199999999 0.8718652200000000 0.0295384400000000 0.0000000000000000 0.0272843600000000 0.7500000000000000 0.0000000000000000 0.9727156400000000 0.2500000000000000 0.8646708400000001 0.3922119400000000 0.7478971999999999 0.1353291600000000 0.3922119400000000 0.7521028000000000 0.1353291600000000 0.6077880600000001 0.2521028000000000 0.8646708400000001 0.6077880600000001 0.2478972000000000 0.0000000000000000 0.7564888600000000 0.7500000000000000 0.0000000000000000 0.2435111400000000 0.2500000000000000 0.1792073200000000 0.6281347800000000 0.5295384400000001 0.8207926800000001 0.6281347800000000 0.9704615599999999 0.8207926800000001 0.3718652200000000 0.4704615600000000 0.1792073200000000 0.3718652200000000 0.0295384400000000 0.2007418300000000 0.1408309300000000 0.5825866200000001 0.7992581700000000 0.1408309300000000 0.9174133799999999 0.7992581700000000 0.8591690700000000 0.4174133800000000 0.2007418300000000 0.8591690700000000 0.0825866200000000 0.7007418300000000 0.6408309300000000 0.5825866200000001 0.2992581700000000 0.6408309300000000 0.9174133799999999 0.2992581700000000 0.3591690700000000 0.4174133800000000 0.7007418300000000 0.3591690700000000 0.0825866200000000 0.4679230000000000 0.7188490700000000 0.6141206299999999 0.5320770000000000 0.7188490700000000 0.8858793700000001 0.5320770000000000 0.2811509300000000 0.3858793700000000 0.4679230000000000 0.2811509300000000 0.1141206300000000 0.2553728100000000 0.1438585800000000 0.7608919199999999 0.7446271900000000 0.1438585800000000 0.7391080800000001 0.7446271900000000 0.8561414199999999 0.2391080800000000 0.2553728100000000 0.8561414199999999 0.2608919200000000 0.1396208600000000 0.9009611100000000 0.6057699200000000 0.8603791400000000 0.9009611100000000 0.8942300800000000 0.8603791400000000 0.0990388900000000 0.3942300800000000 0.1396208600000000 0.0990388900000000 0.1057699200000000 0.7923391600000000 0.8864520700000000 0.6060260600000000 0.2076608400000000 0.8864520700000000 0.8939739400000000 0.2076608400000000 0.1135479300000000 0.3939739400000000 0.7923391600000000 0.1135479300000000 0.1060260600000000 0.4496951800000000 0.0656799700000000 0.6024819500000000 0.5503048200000000 0.0656799700000000 0.8975180500000000 0.5503048200000000 0.9343200300000000 0.3975180500000000 0.4496951800000000 0.9343200300000000 0.1024819500000000 0.9679230000000000 0.2188490700000000 0.6141206299999999 0.0320770000000000 0.2188490700000000 0.8858793700000001 0.0320770000000000 0.7811509300000000 0.3858793700000000 0.9679230000000000 0.7811509300000000 0.1141206300000000 0.7553728100000000 0.6438585800000001 0.7608919199999999 0.2446271900000000 0.6438585800000001 0.7391080800000001 0.2446271900000000 0.3561414200000000 0.2391080800000000 0.7553728100000000 0.3561414200000000 0.2608919200000000 0.6396208600000000 0.4009611100000000 0.6057699200000000 0.3603791400000000 0.4009611100000000 0.8942300800000000 0.3603791400000000 0.5990388900000000 0.3942300800000000 0.6396208600000000 0.5990388900000000 0.1057699200000000 0.2923391600000000 0.3864520700000000 0.6060260600000000 0.7076608400000000 0.3864520700000000 0.8939739400000000 0.7076608400000000 0.6135479300000000 0.3939739400000000 0.2923391600000000 0.6135479300000000 0.1060260600000000 0.9496951800000000 0.5656799699999999 0.6024819500000000 0.0503048200000000 0.5656799699999999 0.8975180500000000 0.0503048200000000 0.4343200300000000 0.3975180500000000 0.9496951800000000 0.4343200300000000 0.1024819500000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 313.407900 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