# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/25348678-78c2-40ca-acbb-9d8d97cf91e3/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 Co2(GeS)3 / R-3 (148) / materials id 2956](https://mdr.nims.go.jp/datasets/efa02846-7342-4a63-ae0a-f51a142fe925)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 24Co 58.93300000 9.00000000 PAW_PBE Co 02Aug2007 36Ge 72.61000000 14.00000000 PAW_PBE Ge_d 03Jul2007 36S 32.06600000 6.00000000 PAW_PBE S 06Sep2000 vasp-settings/INCAR-relax PREC = Accurate GGA = PS IBRION = 2 NSW = 20 NELMIN = 5 ISIF = 3 ENCUT = 403.382200 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 Co Ge S 1.0 11.2027095899999996 -0.0000000300000000 0.0000000000000000 -5.6013547800000003 9.7018311199999996 0.0000000000000000 0.0000000000000000 0.0000000000000000 13.7639680099999993 Co Ge S 24 36 36Direct 0.5030126100000001 0.5030884200000000 0.7571493000000000 0.8303207300000000 0.1635782400000000 0.9095173599999999 0.0000758200000000 0.4969873900000000 0.7571493000000000 0.3332575100000000 0.1696792700000000 0.9095173599999999 0.4969115800000000 0.9999241800000001 0.7571493000000000 0.6666666700000000 0.3333333300000000 0.0902108700000000 0.8364217600000000 0.6667424900000001 0.9095173599999999 0.6666666700000000 0.3333333300000000 0.5764558000000000 0.1696792700000000 0.8364217600000000 0.0904826400000000 0.4969873900000000 0.4969115800000000 0.2428507000000000 0.6667424900000001 0.8303207300000000 0.0904826400000000 0.9999241800000001 0.5030126100000001 0.2428507000000000 0.1635782400000000 0.3332575100000000 0.0904826400000000 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0.8815641800000000 0.2686959100000000 0.7678844700000000 0.3871317300000000 0.1184358200000000 0.7678844700000000 0.6020292400000000 0.0537984000000000 0.8987822000000000 0.7313040900000001 0.6128682700000000 0.7678844700000000 0.6498462100000000 0.4959913400000000 0.4989679300000000 0.9462016000000000 0.5482308400000000 0.8987822000000000 0.5040086600000000 0.1538548700000000 0.4989679300000000 0.4959913400000000 0.8461451300000000 0.5010320700000002 0.1184358200000000 0.7313040900000001 0.2321155300000000 0.5128117900000000 0.6834871200000000 0.8323012599999999 0.3501537900000000 0.5040086600000000 0.5010320700000002 0.1538548700000000 0.6498462100000000 0.5010320700000002 0.5482308400000000 0.6020292400000000 0.1012178000000000 0.0537984000000000 0.4517691600000000 0.1012178000000000 0.2686959100000000 0.3871317300000000 0.2321155300000000 0.3979707600000000 0.9462016000000000 0.1012178000000000 0.3165128800000000 0.8293246700000000 0.8323012599999999 0.6128682700000000 0.8815641800000000 0.2321155300000000 0.1706753300000000 0.4871882100000000 0.8323012599999999 0.1626580000000000 0.1794784600000000 0.8343654000000000 0.7851024900000000 0.0646374300000000 0.5654488700000000 0.1794784600000000 0.0168204600000000 0.1656346000000000 0.0168204600000000 0.8373420000000000 0.8343654000000000 0.8205215400000000 0.9831795400000000 0.8343654000000000 0.2148975100000000 0.9353625700000000 0.4345511300000000 0.7204650699999999 0.7851024900000000 0.4345511300000000 0.9353625700000000 0.7204650699999999 0.5654488700000000 0.0646374300000000 0.2795349300000000 0.4345511300000000 0.9831795400000000 0.1626580000000000 0.1656346000000000 0.2795349300000000 0.2148975100000000 0.5654488700000000 0.8373420000000000 0.8205215400000000 0.1656346000000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 403.382200 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 1 0.000 0.000 0.000