# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/489d54e8-dd86-42f8-b539-32a4625b07a8/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 K2Ge8O17 / Pnma (62) / materials id 4698](https://mdr.nims.go.jp/datasets/78f4e185-1f2c-473b-8299-00148df54fcf)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 2 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 68O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 8K 39.09800000 7.00000000 PAW_PBE K_pv 17Jan2003 32Ge 72.61000000 14.00000000 PAW_PBE Ge_d 03Jul2007 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 O K Ge 1.0 13.5024401800000007 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.8261189400000006 0.0000000000000000 0.0000000000000000 0.0000000000000000 13.5581183000000003 O K Ge 68 8 32Direct 0.1798675600000000 0.0313783700000000 0.3942186100000000 0.8201324400000000 0.5313783700000000 0.6057813900000000 0.6798675599999999 0.4686216300000000 0.1057813900000000 0.3201324400000000 0.9686216300000000 0.8942186100000000 0.8201324400000000 0.9686216300000000 0.6057813900000000 0.1798675600000000 0.4686216300000000 0.3942186100000000 0.3201324400000000 0.5313783700000000 0.8942186100000000 0.6798675599999999 0.0313783700000000 0.1057813900000000 0.0950980700000000 0.9889781600000001 0.1911455700000000 0.9049019300000000 0.4889781600000000 0.8088544300000000 0.5950980699999999 0.5110218399999999 0.3088544300000000 0.4049019300000000 0.0110218400000000 0.6911455700000000 0.9049019300000000 0.0110218400000000 0.8088544300000000 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0.8011297400000000 0.0666592400000000 0.3788340900000000 0.6988702600000001 0.9333407600000000 0.8788340900000000 0.5021538200000000 0.0499174100000000 0.8572205800000000 0.0070023400000000 0.7500000000000000 0.0941822600000000 0.9929976600000000 0.2500000000000000 0.9058177400000000 0.5070023400000000 0.7500000000000000 0.4058177400000000 0.4929976600000000 0.2500000000000000 0.5941822600000000 0.0947978300000000 0.7500000000000000 0.4814939400000000 0.9052021700000000 0.2500000000000000 0.5185060600000000 0.5947978300000001 0.7500000000000000 0.0185060600000000 0.4052021700000000 0.2500000000000000 0.9814939400000000 0.3753219600000000 0.5706758400000000 0.1790681600000000 0.6246780400000000 0.0706758400000000 0.8209318400000000 0.8753219600000000 0.9293241600000000 0.3209318400000000 0.1246780400000000 0.4293241600000000 0.6790681599999999 0.6246780400000000 0.4293241600000000 0.8209318400000000 0.3753219600000000 0.9293241600000000 0.1790681600000000 0.1246780400000000 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0.1135665600000000 0.0866229000000000 0.4077024700000000 0.3071452700000000 0.9133770999999999 0.9077024700000000 0.6928547300000000 0.5866229000000001 0.0922975300000000 0.1928547300000000 0.4133771000000000 0.5922975300000000 0.8071452700000000 0.9133770999999999 0.5922975300000000 0.6928547300000000 0.0866229000000000 0.0922975300000000 0.3071452700000000 0.4133771000000000 0.9077024700000000 0.8071452700000000 0.5866229000000001 0.4077024700000000 0.1928547300000000vasp-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 2 1 0.000 0.000 0.000