# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/da8ddfd2-8fa9-495a-a93b-7e6854dfd53a/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 BaAl2(GeO4)2 / C2/c (15) / materials id 556178](https://mdr.nims.go.jp/datasets/b3a5ac9e-6644-4520-9d38-5c32fbbcd648)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 1 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 8Ba 137.32700000 10.00000000 PAW_PBE Ba_sv 06Sep2000 16Al 26.98100000 3.00000000 PAW_PBE Al 04Jan2001 16Ge 72.61000000 14.00000000 PAW_PBE Ge_d 03Jul2007 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. NPAR = 4vasp-settings/POSCAR-unitcell Ba Al Ge O 1.0 13.6603810400000008 0.0000000000000000 -0.0158268500000000 0.0000000000000000 13.4154424599999995 0.0000000000000000 -1.6851588000000000 0.0000000000000000 8.6722400000000004 Ba Al Ge O 8 16 16 64Direct 0.3152542100000000 0.2502558300000000 0.7902253000000000 0.1847457900000000 0.2497441700000000 0.2097747000000000 0.8152542100000000 0.2497441700000000 0.2902253000000000 0.6847457900000000 0.2502558300000000 0.7097747000000000 0.8152542100000000 0.7502558300000000 0.7902253000000000 0.6847457900000000 0.7497441700000000 0.2097747000000000 0.3152542100000000 0.7497441700000000 0.2902253000000000 0.1847457900000000 0.7502558300000000 0.7097747000000000 0.1363793300000000 0.5699160200000000 0.3908472400000000 0.3636206700000000 0.0699160200000000 0.1091527600000000 0.9231853200000000 0.1307236200000000 0.9753244800000000 0.4231853200000000 0.3692763800000000 0.4753244800000000 0.1363793300000000 0.4300839800000000 0.8908472400000000 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0.5588118700000000 0.3908392600000000 0.8732003300000000 0.0588118700000000 0.1091607400000000 0.7512294600000000 0.3811960900000000 0.5015367200000000 0.8775976800000000 0.4407987400000000 0.1128117900000000 0.5529583499999999 0.6245546000000000 0.9933053700000000 0.6428474900000001 0.3793340100000000 0.2141918800000000 0.8566783500000000 0.6202687400000000 0.2897729100000000 0.0522409600000000 0.6266585000000000 0.4926842500000000 0.5522409600000000 0.8733415000000000 0.9926842500000000 0.3945774600000000 0.7486732100000000 0.0422707800000000 0.6224023200000000 0.9407987400000000 0.3871882100000000 0.6224023200000000 0.0592012600000000 0.8871882100000000 0.6428474900000001 0.6206659900000000 0.7141918800000000 0.9477590400000000 0.6266585000000000 0.0073157500000000 0.8945774600000000 0.7513267900000000 0.5422707800000000 0.4470416500000000 0.6245546000000000 0.5066946299999999 0.8732003300000000 0.9411881300000000 0.6091607400000000 0.7512294600000000 0.6188039100000000 0.0015367200000000 0.9470416500000000 0.8754454000000000 0.0066946300000000 0.8775976800000000 0.5592012600000000 0.6128117900000001 0.1054225400000000 0.7513267900000000 0.9577292200000000 0.0529583500000000 0.8754454000000000 0.4933053700000000vasp-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 1 2 0.000 0.000 0.000