# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/ce0131af-9de7-48a1-a7b6-f5047313b245/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 KAl11O17 / Cmcm (63) / materials id 757376](https://mdr.nims.go.jp/datasets/b3c88181-9dcf-40ef-a9b1-3b87df91fb93)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 4 2 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 4K 39.09800000 7.00000000 PAW_PBE K_pv 17Jan2003 44Al 26.98100000 3.00000000 PAW_PBE Al 04Jan2001 68O 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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0.8554861000000000 0.2464469900000000 0.2488450400000000 0.6445139000000000 0.7535530100000000 0.7511549600000000 0.3554861000000000 0.7535530100000000 0.7511549600000000 0.1445139000000000 0.2648730100000000 0.0783571000000000 0.4505572300000000 0.2648730100000000 0.0783571000000000 0.0494427700000000 0.0000000000000000 0.9975888300000000 0.1445268400000000 0.0000000000000000 0.8333189200000000 0.0549126200000000 0.0000000000000000 0.6567559000000001 0.9505628100000000 0.0000000000000000 0.6567559000000001 0.5494371900000000 0.0000000000000000 0.9975888300000000 0.3554731600000000 0.0000000000000000 0.8333189200000000 0.4450873800000000 0.0000000000000000 0.8333077600000001 0.7500000000000000 0.2464469900000000 0.7511549600000000 0.3554861000000000 0.2464469900000000 0.7511549600000000 0.1445139000000000 0.2648730100000000 0.9216429000000000 0.9505572300000000 0.2648730100000000 0.9216429000000000 0.5494427700000000vasp-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 4 2 1 0.000 0.000 0.000