# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/28e0811f-b4c9-4309-a56e-06bad595e951/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 Si5P6O25 / R-3 (148) / materials id 3273](https://mdr.nims.go.jp/datasets/3cc7fd24-a2eb-4f42-85c6-99512c71243f)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 3 3 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 75O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 15Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001 18P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 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 Si P 1.0 7.8957881499999996 0.0000000000000000 0.0000000000000000 -3.9478940900000001 6.8379531099999999 0.0000000000000000 0.0000000000000000 0.0000000000000000 24.2597564800000001 O Si P 75 15 18Direct 0.2057878400000000 0.0798255500000000 0.2218889400000000 0.8740377200000000 0.7942121600000001 0.2218889400000000 0.9201744500000000 0.1259622800000000 0.2218889400000000 0.4608788300000000 0.2535077800000000 0.1114443900000000 0.7926289500000000 0.5391211700000000 0.1114443900000000 0.7464922199999999 0.2073710500000000 0.1114443900000000 0.3146219200000000 0.8490465100000000 0.2569462900000000 0.5344245800000000 0.6853780800000000 0.2569462900000000 0.1509534900000000 0.4655754200000000 0.2569462900000000 0.3520447500000000 0.4842868300000000 0.0763870500000000 0.1322420900000000 0.6479552500000000 0.0763870500000000 0.3333333300000000 0.6666666700000000 0.1666666700000000 0.7872263500000000 0.9166826500000000 0.1375992200000000 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0.2127736500000000 0.0833173500000000 0.8624007800000000 0.9166826500000000 0.1294562900000000 0.8624007800000000 0.8705437100000000 0.7872263500000000 0.8624007800000000 0.1899455800000000 0.7327411800000000 0.7072595900000000 0.2672588200000000 0.4572044100000000 0.7072595900000000 0.5427955900000000 0.8100544199999999 0.7072595900000000 0.1433877500000000 0.9339254900000000 0.9594070700000000 0.0660745100000000 0.2094622500000000 0.9594070700000000 0.7905377500000000 0.8566122500000000 0.9594070700000000 0.8490465100000000 0.5344245800000000 0.7430537100000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.1799725600000000 0.6666666700000000 0.3333333300000000 0.1533607800000000 0.3333333300000000 0.6666666700000000 0.1006680000000000 0.3333333300000000 0.6666666700000000 0.2326653300000000 0.6666666700000000 0.3333333300000000 0.3333333300000000 0.6666666700000000 0.3333333300000000 0.5133058900000000 0.3333333300000000 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0.5741956300000000 0.3524813100000000 0.9516216900000000 0.5741956300000000 0.0483783100000000 0.4008596200000000 0.5741956300000000 0.0675262800000000 0.6858146400000000 0.7591377000000000 0.3141853600000000 0.3817116400000000 0.7591377000000000 0.6182883600000000 0.9324737200000000 0.7591377000000000 0.2658070500000000 0.9808520200000000 0.9075289600000001 0.0191479800000000 0.2849550300000000 0.9075289600000001 0.7150449700000000 0.7341929500000000 0.9075289600000001vasp-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 3 3 1 0.000 0.000 0.000