# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/997b44dd-481c-4687-9376-141a42ca8877/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 KZr2(AsO4)3 / R-3c (167) / materials id 541282](https://mdr.nims.go.jp/datasets/f886ea3f-0d43-4291-9cde-2720247be91e)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 3 3 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 12Zr 91.22400000 12.00000000 PAW_PBE Zr_sv 04Jan2005 18As 74.92200000 15.00000000 PAW_PBE As_d 11Apr2003 6K 39.09800000 7.00000000 PAW_PBE K_pv 17Jan2003 72O 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. 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0.9273802700000000 0.5039428400000000 0.3615771100000000 0.9273802700000000 0.8576342700000000 0.4960571600000000 0.9273802700000000 0.5243009400000000 0.6949104500000001 0.7607136000000000 0.1706095100000000 0.4756990600000000 0.7607136000000000 0.3050895500000000 0.8293904900000000 0.7607136000000000 0.6949104500000001 0.5243009400000000 0.7392864000000000 0.8293904900000000 0.3050895500000000 0.7392864000000000 0.4756990600000000 0.1706095100000000 0.7392864000000000vasp-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 2 1 0.000 0.000 0.000