# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/5d8099d9-2940-4338-aa91-d7611169d028/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 Ca2Zr5Ti2O16 / Pbca (61) / materials id 667369](https://mdr.nims.go.jp/datasets/fbecc78f-a8d2-4b34-9422-59fe35718255)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 1 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 16Ca 40.07800000 8.00000000 PAW_PBE Ca_pv 06Sep2000 40Zr 91.22400000 12.00000000 PAW_PBE Zr_sv 04Jan2005 16Ti 47.88000000 10.00000000 PAW_PBE Ti_pv 07Sep2000 128O 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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ADDGRID = .TRUE. LWAVE = .FALSE. LCHARG = .FALSE. NPAR = 4vasp-settings/KPOINTS-relaxAutomatic mesh0Gamma 2 1 1 0.000 0.000 0.000