# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/dfa5f433-4daa-4923-ab5e-11eb58cf872b/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 K5In3(SiO3)7 / Pna2_1 (33) / materials id 557237](https://mdr.nims.go.jp/datasets/f13b33e2-9d4d-4770-9638-3b5f1cbe13c1)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 1 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 20K 39.09800000 7.00000000 PAW_PBE K_pv 17Jan2003 12In 114.82000000 13.00000000 PAW_PBE In_d 06Sep2000 28Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001 84O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 vasp-settings/INCAR-relax PREC = Accurate GGA = PS IBRION = 2 NSW = 20 NELMIN = 5 ISIF = 3 ENCUT = 520.000000 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 K In Si O 1.0 12.5797165999999994 0.0000000000000000 0.0000000000000000 0.0000000000000000 16.9629439700000013 0.0000000000000000 0.0000000000000000 0.0000000000000000 10.2994408600000007 K In Si O 20 12 28 84Direct 0.5679835000000000 0.8961030200000000 0.4083272000000000 0.3857307600000000 0.3457413000000000 0.0413467700000000 0.8243410700000000 0.5539813499999999 0.2650082200000000 0.9062238499999999 0.8645063200000001 0.8875088000000000 0.9320165000000000 0.3961030200000000 0.9083272000000000 0.4320165000000000 0.1038969800000000 0.9083272000000000 0.7616704300000000 0.1569454300000000 0.4311863900000000 0.2383295700000000 0.8430545700000001 0.9311863900000000 0.0937761500000000 0.1354936800000000 0.3875088000000000 0.5937761500000001 0.3645063200000000 0.3875088000000000 0.0679835000000000 0.6038969800000000 0.4083272000000000 0.7383295700000000 0.6569454299999999 0.9311863900000000 0.1142692400000000 0.8457413000000000 0.5413467700000000 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0.0934427700000000 0.1448267300000000 0.2772719600000000 0.6374282400000000 0.4249107600000000 0.9904389800000000 0.2840988000000000 0.1301684700000000 0.0398139800000000 0.7912469500000000 0.0798060900000000 0.0095610200000000 0.7159012000000000 0.6301684700000000 0.5384448700000000 0.1928447100000000 0.4080142500000000 0.0665675100000000 0.9758063500000000 0.9305748900000000 0.3102516300000000 0.1384875600000000 0.4177873100000000 0.8273057400000000 0.6326172700000000 0.6658570300000000 0.4615551300000000 0.8071552900000000 0.9080142500000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 520.000000 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 2 0.000 0.000 0.000