# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/875b0e9b-2e0e-4c76-a812-ac42092759ac/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 Na2TiZn2GeO7 / Pbca (61) / materials id 14065](https://mdr.nims.go.jp/datasets/a68a9033-d358-4830-ab93-69345af5da99)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 4 1 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 56O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 16Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 8Ti 47.88000000 10.00000000 PAW_PBE Ti_pv 07Sep2000 16Zn 65.39000000 12.00000000 PAW_PBE Zn 06Sep2000 8Ge 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 Na Ti Zn Ge 1.0 5.2186735400000002 0.0000000000000000 0.0000000000000000 0.0000000000000000 20.4194615500000012 0.0000000000000000 0.0000000000000000 0.0000000000000000 11.8514887499999997 O Na Ti Zn Ge 56 16 8 16 8Direct 0.6929783199999999 0.3434167100000000 0.3473484600000000 0.1929783200000000 0.1565832900000000 0.6526515399999999 0.8070216800000000 0.6565832899999999 0.8473484600000000 0.3070216800000000 0.8434167100000000 0.1526515400000000 0.3070216800000000 0.6565832899999999 0.6526515399999999 0.8070216800000000 0.8434167100000000 0.3473484600000000 0.1929783200000000 0.3434167100000000 0.1526515400000000 0.6929783199999999 0.1565832900000000 0.8473484600000000 0.6500979099999999 0.0984631700000000 0.0678546100000000 0.1500979100000000 0.4015368300000000 0.9321453900000000 0.8499020900000001 0.9015368300000000 0.5678546099999999 0.3499020900000000 0.5984631700000000 0.4321453900000000 0.3499020900000000 0.9015368300000000 0.9321453900000000 0.8499020900000001 0.5984631700000000 0.0678546100000000 0.1500979100000000 0.0984631700000000 0.4321453900000000 0.6500979099999999 0.4015368300000000 0.5678546099999999 0.6711512399999999 0.4827467600000000 0.3628698500000000 0.1711512400000000 0.0172532400000000 0.6371301500000000 0.8288487600000000 0.5172532399999998 0.8628698500000000 0.3288487600000000 0.9827467600000001 0.1371301500000000 0.3288487600000000 0.5172532399999998 0.6371301500000000 0.8288487600000000 0.9827467600000001 0.3628698500000000 0.1711512400000000 0.4827467600000000 0.1371301500000000 0.6711512399999999 0.0172532400000000 0.8628698500000000 0.9524841800000000 0.2144305400000000 0.3049842900000000 0.5873108700000000 0.1119680100000000 0.2970888200000000 0.4524841800000000 0.2855694600000000 0.6950157100000001 0.0475158200000000 0.7144305399999999 0.1950157100000000 0.0475158200000000 0.7855694600000001 0.6950157100000001 0.5475158200000000 0.7144305399999999 0.3049842900000000 0.4524841800000000 0.2144305400000000 0.1950157100000000 0.9524841800000000 0.2855694600000000 0.8049842899999999 0.6182280499999999 0.4156530100000000 0.0624099700000000 0.1182280500000000 0.0843469900000000 0.9375900300000000 0.8817719500000000 0.5843469900000000 0.5624099700000000 0.3817719500000000 0.9156530100000000 0.4375900300000000 0.3817719500000000 0.5843469900000000 0.9375900300000000 0.8817719500000000 0.9156530100000000 0.0624099700000000 0.1182280500000000 0.4156530100000000 0.4375900300000000 0.6182280499999999 0.0843469900000000 0.5624099700000000 0.8967773200000000 0.2232863700000000 0.0675457500000000 0.3967773200000000 0.2767136300000000 0.9324542500000000 0.6032226800000000 0.7767136299999999 0.5675457500000001 0.1032226800000000 0.7232863700000001 0.4324542500000000 0.1032226800000000 0.7767136299999999 0.9324542500000000 0.6032226800000000 0.7232863700000001 0.0675457500000000 0.3967773200000000 0.2232863700000000 0.4324542500000000 0.8967773200000000 0.2767136300000000 0.5675457500000001 0.5873108700000000 0.3880319900000000 0.7970888200000000 0.0873108700000000 0.1119680100000000 0.2029111800000000 0.9126891300000000 0.6119680100000000 0.2970888200000000 0.4126891300000000 0.8880319900000000 0.7029111800000001 0.4126891300000000 0.6119680100000000 0.2029111800000000 0.9126891300000000 0.8880319900000000 0.7970888200000000 0.0873108700000000 0.3880319900000000 0.7029111800000001 0.5475158200000000 0.7855694600000001 0.8049842899999999 0.7516885200000000 0.1756287100000000 0.6630855300000000 0.2516885200000000 0.3243712900000000 0.3369144700000000 0.7483114799999999 0.8243712900000000 0.1630855300000000 0.2483114800000000 0.6756287100000000 0.8369144700000000 0.2483114800000000 0.8243712900000000 0.3369144700000000 0.7483114799999999 0.6756287100000000 0.6630855300000000 0.2516885200000000 0.1756287100000000 0.8369144700000000 0.7516885200000000 0.3243712900000000 0.1630855300000000 0.7623938200000000 0.0033034100000000 0.1745830500000000 0.2623938200000000 0.4966965900000000 0.8254169500000000 0.2623938200000000 0.0033034100000000 0.3254169500000000 0.7623938200000000 0.4966965900000000 0.6745830500000001 0.2376061800000000 0.9966965900000000 0.8254169500000000 0.7376061800000000 0.5033034100000000 0.1745830500000000 0.7376061800000000 0.9966965900000000 0.6745830500000001 0.2376061800000000 0.5033034100000000 0.3254169500000000 0.7878210100000000 0.3340294300000000 0.6856483200000000 0.7878210100000000 0.1659705700000000 0.1856483200000000 0.2878210100000000 0.3340294300000000 0.8143516800000000 0.7121789900000000 0.8340294300000000 0.6856483200000000 0.2121789900000000 0.6659705700000000 0.3143516800000000 0.2121789900000000 0.8340294300000000 0.8143516800000000 0.7121789900000000 0.6659705700000000 0.1856483200000000 0.2878210100000000 0.1659705700000000 0.3143516800000000 0.2547214100000000 0.7584965100000001 0.0797178300000000 0.2452785900000000 0.2415034900000000 0.5797178300000000 0.7547214100000000 0.7415034899999999 0.9202821700000000 0.7843084800000000 0.4278023800000000 0.9196256800000000 0.2547214100000000 0.7415034899999999 0.5797178300000000 0.7547214100000000 0.7584965100000001 0.4202821700000000 0.2452785900000000 0.2584965100000000 0.0797178300000000 0.7452785900000001 0.2415034900000000 0.9202821700000000 0.2843084800000000 0.0721976200000000 0.0803743200000000 0.7156915200000000 0.5721976200000001 0.4196256800000000 0.2156915200000000 0.9278023800000000 0.5803743200000000 0.7843084800000000 0.0721976200000000 0.4196256800000000 0.7156915200000000 0.9278023800000000 0.9196256800000000 0.2843084800000000 0.4278023800000000 0.5803743200000000 0.2156915200000000 0.5721976200000001 0.0803743200000000 0.7452785900000001 0.2584965100000000 0.4202821700000000 0.7814041400000000 0.0888964800000000 0.9284807800000000 0.2814041400000000 0.4111035200000000 0.0715192200000000 0.7185958600000000 0.9111035199999999 0.4284807800000000 0.2185958600000000 0.5888964800000001 0.5715192200000000 0.2185958600000000 0.9111035199999999 0.0715192200000000 0.7185958600000000 0.5888964800000001 0.9284807800000000 0.2814041400000000 0.0888964800000000 0.5715192200000000 0.7814041400000000 0.4111035200000000 0.4284807800000000vasp-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 1 2 0.000 0.000 0.000