# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/3bb08959-0bbd-43ec-adac-f8585c933bad/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 In10(Pb2S7)3 / Cm (8) / materials id 662823](https://mdr.nims.go.jp/datasets/6a4bb012-cdd8-4443-95e5-f5d397abe6ee)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 3 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 40In 114.82000000 13.00000000 PAW_PBE In_d 06Sep2000 24Pb 207.20000000 14.00000000 PAW_PBE Pb_d 06Sep2000 84S 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 In Pb S 1.0 27.3433338799999994 0.0000000000000000 -0.0940755200000000 0.0000000000000000 3.8482626700000000 0.0000000000000000 -1.4891143499999999 0.0000000000000000 15.5485902399999993 In Pb S 20 12 42Direct 0.1906906300000000 0.5000000000000000 0.4831564900000000 0.0175297600000000 0.5000000000000000 0.1289845500000000 0.2187320200000000 0.0000000000000000 0.6898426500000000 0.2886897500000000 0.5000000000000000 0.3092297100000000 0.4041335000000000 0.5000000000000000 0.0190726600000000 0.2395017300000000 0.5000000000000000 0.8910384300000000 0.3167312800000000 0.0000000000000000 0.5159170300000000 0.2679041700000000 0.0000000000000000 0.1080401400000000 0.1032713900000000 0.0000000000000000 0.9799982600000000 0.4898796400000000 0.0000000000000000 0.8700831300000000 0.6906906300000000 0.0000000000000000 0.4831564900000000 0.5175297599999999 0.0000000000000000 0.1289845500000000 0.7187320200000000 0.5000000000000000 0.6898426500000000 0.7886897500000000 0.0000000000000000 0.3092297100000000 0.9041335000000000 0.0000000000000000 0.0190726600000000 0.7395017300000000 0.0000000000000000 0.8910384300000000 0.8167312799999999 0.5000000000000000 0.5159170300000000 0.7679041700000000 0.5000000000000000 0.1080401400000000 0.6032713900000000 0.5000000000000000 0.9799982600000000 0.9898796399999999 0.5000000000000000 0.8700831300000000 0.0793700700000000 0.0000000000000000 0.7065615599999999 0.1400673300000000 0.0000000000000000 0.2403348700000000 0.4280554900000000 0.5000000000000000 0.2925203600000000 0.3673427800000000 0.5000000000000000 0.7587284400000001 0.0534713200000000 0.0000000000000000 0.4331100300000000 0.4539554400000000 0.5000000000000000 0.5659724300000000 0.5793700700000000 0.5000000000000000 0.7065615599999999 0.6400673299999999 0.5000000000000000 0.2403348700000000 0.9280554900000000 0.0000000000000000 0.2925203600000000 0.8673427800000000 0.0000000000000000 0.7587284400000001 0.5534713200000000 0.5000000000000000 0.4331100300000000 0.9539554400000000 0.0000000000000000 0.5659724300000000 0.4694107300000000 0.0000000000000000 0.4063422000000000 0.1069027900000000 0.5000000000000000 0.0952774900000000 0.0380135800000000 0.5000000000000000 0.5927351199999999 0.3325969900000000 0.0000000000000000 0.2402329600000000 0.2856580600000000 0.0000000000000000 0.8120950900000000 0.2398427800000000 0.0000000000000000 0.4008943700000000 0.2217531100000000 0.5000000000000000 0.1869916300000000 0.0827532700000000 0.5000000000000000 0.8706954800000000 0.1206232700000000 0.5000000000000000 0.3650776400000000 0.3083357500000000 0.5000000000000000 0.0244800900000000 0.0305248000000000 0.0000000000000000 0.2370907600000000 0.1748170000000000 0.5000000000000000 0.7588339200000001 0.1990701600000000 0.0000000000000000 0.9745973700000000 0.4005073400000000 0.0000000000000000 0.9037925099999999 0.0037053400000000 0.0000000000000000 0.9995339700000000 0.3552176000000000 0.5000000000000000 0.4363444200000000 0.3867970900000000 0.0000000000000000 0.6339943400000000 0.4768879700000000 0.5000000000000000 0.7619782200000000 0.4246570600000000 0.0000000000000000 0.1283732700000000 0.1522028100000000 0.0000000000000000 0.5627282600000000 0.2675788800000000 0.5000000000000000 0.5981900900000000 0.9694107300000000 0.5000000000000000 0.4063422000000000 0.6069027900000000 0.0000000000000000 0.0952774900000000 0.5380135800000000 0.0000000000000000 0.5927351199999999 0.8325969900000000 0.5000000000000000 0.2402329600000000 0.7856580600000000 0.5000000000000000 0.8120950900000000 0.7398427800000000 0.5000000000000000 0.4008943700000000 0.7217531100000000 0.0000000000000000 0.1869916300000000 0.5827532700000000 0.0000000000000000 0.8706954800000000 0.6206232700000001 0.0000000000000000 0.3650776400000000 0.8083357500000000 0.0000000000000000 0.0244800900000000 0.5305248000000000 0.5000000000000000 0.2370907600000000 0.6748170000000000 0.0000000000000000 0.7588339200000001 0.6990701600000000 0.5000000000000000 0.9745973700000000 0.9005073400000000 0.5000000000000000 0.9037925099999999 0.5037053400000000 0.5000000000000000 0.9995339700000000 0.8552176000000000 0.0000000000000000 0.4363444200000000 0.8867970900000000 0.5000000000000000 0.6339943400000000 0.9768879700000000 0.0000000000000000 0.7619782200000000 0.9246570600000000 0.5000000000000000 0.1283732700000000 0.6522028100000000 0.5000000000000000 0.5627282600000000 0.7675788800000000 0.0000000000000000 0.5981900900000000vasp-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