# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/067a10fe-5c49-4393-8cc3-80daf904cdc8/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 ZnAg(PO3)3 / Pcca (54) / materials id 14260](https://mdr.nims.go.jp/datasets/c1c60b5d-b8d4-4a39-bd51-936cfcc1e6eb)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 72O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 24P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 8Zn 65.39000000 12.00000000 PAW_PBE Zn 06Sep2000 8Ag 107.86800000 17.00000000 PAW_PBE Ag_pv 09Dec2005 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 O P Zn Ag 1.0 14.0008320099999999 0.0000000000000000 0.0000000000000000 0.0000000000000000 10.6661596500000009 0.0000000000000000 0.0000000000000000 0.0000000000000000 9.9963519800000000 O P Zn Ag 72 24 8 8Direct 0.0000000000000000 0.5378231800000000 0.2500000000000000 0.5000000000000000 0.4621768200000000 0.2500000000000000 0.0000000000000000 0.4621768200000000 0.7500000000000000 0.5000000000000000 0.5378231800000000 0.7500000000000000 0.3503548000000000 0.5675738800000000 0.1605876500000000 0.1496452000000000 0.4324261200000000 0.1605876500000000 0.6496451999999999 0.5675738800000000 0.3394123500000000 0.8503548000000000 0.4324261200000000 0.3394123500000000 0.6496451999999999 0.4324261200000000 0.8394123500000000 0.8503548000000000 0.5675738800000000 0.8394123500000000 0.3503548000000000 0.4324261200000000 0.6605876500000001 0.1496452000000000 0.5675738800000000 0.6605876500000001 0.1525378900000000 0.5622579900000000 0.3790580900000000 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0.0000000000000000 0.2500000000000000 0.5000000000000000 0.0332651000000000 0.7500000000000000 0.5000000000000000 0.4667349000000000 0.7500000000000000 0.5000000000000000 0.9667349000000000 0.2500000000000000 0.5000000000000000 0.5332650999999999 0.1242750100000000 0.7520951200000000 0.4834414300000000 0.3757249900000000 0.2479048800000000 0.4834414300000000 0.8757249900000000 0.7520951200000000 0.0165585700000000 0.6242750100000001 0.2479048800000000 0.0165585700000000 0.8757249900000000 0.2479048800000000 0.5165585700000002 0.6242750100000001 0.7520951200000000 0.5165585700000002 0.1242750100000000 0.2479048800000000 0.9834414299999999 0.3757249900000000 0.7520951200000000 0.9834414299999999vasp-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 1 2 2 0.000 0.000 0.000