# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/dab20edf-8300-4f6c-9db6-efb0531db1a5/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 Na4TiP2O9 / P2/c (13) / materials id 680756](https://mdr.nims.go.jp/datasets/7d72da01-4305-4256-9451-d6a9a680b783)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 3 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 40Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 10Ti 47.88000000 10.00000000 PAW_PBE Ti_pv 07Sep2000 20P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 90O 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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0.0560000600000000 0.1929379800000000 0.6283350599999999 0.5500055800000000 0.0143473400000000 0.7161858999999999 0.5227668500000000 0.4731345800000000 0.7133870800000000 0.4446633500000000 0.7939965500000000 0.4002311200000000 0.2474337300000000 0.9278358000000000 0.3373889700000000 0.3593428300000000 0.9282144999999999 0.0097304000000000 0.6766338300000000 0.5957260799999999 0.3238605900000000 0.8549920400000000 0.2060034500000000 0.4002311200000000 0.2525662700000000vasp-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 3 1 0.000 0.000 0.000