# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/dbaa31a5-9997-4f2e-8a59-1c565efa9ee0/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 Ca11Al14O32 / C2 (5) / materials id 33318](https://mdr.nims.go.jp/datasets/6cf79479-4355-46ec-830e-ee7287d0f88d)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 28Al 26.98100000 3.00000000 PAW_PBE Al 04Jan2001 22Ca 40.07800000 8.00000000 PAW_PBE Ca_pv 06Sep2000 64O 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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0.3816748500000000 0.4351987100000000 0.5690347400000000 0.6183251500000000 0.6910102900000000 0.5999335900000000 0.7257766800000001 0.2180784300000000 0.6934543799999999 0.3704204100000000 0.0436568900000000 0.8548682300000000 0.2361607200000000 0.7150606400000000 0.3034253300000000 0.5691278600000000 0.1905462800000000 0.4051061800000000 0.1599942200000000 0.8201482800000000 0.8134560000000000 0.8853762900000000 0.9310591700000000 0.4352811300000000 0.7473043500000001 0.0307505300000000 0.6509721700000000 0.3263513600000000 0.0689408300000000 0.4352811300000000 0.2526956500000000 0.8494660000000001 0.5540632300000000 0.0614371000000000 0.9059653900000000 0.2179875300000000 0.8437960600000000 0.8094537200000000 0.4051061800000000 0.8400057800000000 0.7801031100000000 0.6850766900000000 0.1898645400000000vasp-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 2 0.000 0.000 0.000