# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/d508f415-caee-4150-be2e-bf73541aac02/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 Er2P4O13 / C2/c (15) / materials id 773003](https://mdr.nims.go.jp/datasets/17eae119-5d67-4acb-af0a-680231ef9cb7)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 3 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 8Er 167.26000000 9.00000000 PAW_PBE Er_3 06Sep2000 16P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 52O 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 Er P O 1.0 11.7555809000000000 0.0000000000000000 -0.0936051600000000 0.0000000000000000 6.6900391399999997 0.0000000000000000 -3.6360058199999998 0.0000000000000000 12.2515175799999998 Er P O 8 16 52Direct 0.1917593300000000 0.5029021100000000 0.0476447500000000 0.1917593300000000 0.4970978900000000 0.5476447500000000 0.3082406700000000 0.0029021100000000 0.4523552500000000 0.3082406700000000 0.9970978900000000 0.9523552500000000 0.6917593300000000 0.0029021100000000 0.0476447500000000 0.6917593300000000 0.9970978900000000 0.5476447500000000 0.8082406700000000 0.5029021100000000 0.4523552500000000 0.8082406700000000 0.4970978900000000 0.9523552500000000 0.4882455300000000 0.6581016700000000 0.1328763200000000 0.2615343800000000 0.5106498200000000 0.3377156800000000 0.0117544700000000 0.1581016700000000 0.3671236800000000 0.2384656200000000 0.0106498200000000 0.1622843200000000 0.2615343800000000 0.4893501800000000 0.8377156800000000 0.4882455300000000 0.3418983300000000 0.6328763200000000 0.2384656200000000 0.9893501800000000 0.6622843199999999 0.0117544700000000 0.8418983300000000 0.8671236800000000 0.9882455300000000 0.1581016700000000 0.1328763200000000 0.7615343800000001 0.0106498200000000 0.3377156800000000 0.5117544700000001 0.6581016700000000 0.3671236800000000 0.7384656199999999 0.5106498200000000 0.1622843200000000 0.7615343800000001 0.9893501800000000 0.8377156800000000 0.9882455300000000 0.8418983300000000 0.6328763200000000 0.7384656199999999 0.4893501800000000 0.6622843199999999 0.5117544700000001 0.3418983300000000 0.8671236800000000 0.4927679400000000 0.8302179700000000 0.0559201000000000 0.3870265300000000 0.5148309900000000 0.1011498400000000 0.3994385100000000 0.5181872300000000 0.3450194000000000 0.3870265300000000 0.4851690100000000 0.6011498399999999 0.2476840500000000 0.3257838600000000 0.4036997400000000 0.3994385100000000 0.4818127700000000 0.8450194000000000 0.1930674800000000 0.5057564299999999 0.2184499800000000 0.2523159500000000 0.8257838600000000 0.0963002600000000 0.4927679400000000 0.1697820300000000 0.5559201000000000 0.2351580000000000 0.6858119300000001 0.4039645100000000 0.3069325200000000 0.0057564300000000 0.2815500200000000 0.2351580000000000 0.3141880700000000 0.9039645100000000 0.0000000000000000 0.2574564100000000 0.2500000000000000 0.2648420000000000 0.1858119300000000 0.0960354900000000 0.1930674800000000 0.4942435700000000 0.7184499799999999 0.2648420000000000 0.8141880700000000 0.5960354900000000 0.0072320600000000 0.3302179700000000 0.4440799000000000 0.2476840500000000 0.6742161400000000 0.9036997400000000 0.3069325200000000 0.9942435700000000 0.7815500200000001 0.1005614900000000 0.0181872300000000 0.1549806000000000 0.2523159500000000 0.1742161400000000 0.5963002600000000 0.1129734700000000 0.0148309900000000 0.3988501600000000 0.1005614900000000 0.9818127700000000 0.6549806000000000 0.0000000000000000 0.7425435899999999 0.7500000000000000 0.1129734700000000 0.9851690100000000 0.8988501600000000 0.0072320600000000 0.6697820299999999 0.9440799000000000 0.9927679400000000 0.3302179700000000 0.0559201000000000 0.8870265300000000 0.0148309900000000 0.1011498400000000 0.8994385100000000 0.0181872300000000 0.3450194000000000 0.8870265300000000 0.9851690100000000 0.6011498399999999 0.7476840499999999 0.8257838600000000 0.4036997400000000 0.8994385100000000 0.9818127700000000 0.8450194000000000 0.6930674800000001 0.0057564300000000 0.2184499800000000 0.7523159500000001 0.3257838600000000 0.0963002600000000 0.9927679400000000 0.6697820299999999 0.5559201000000000 0.7351580000000000 0.1858119300000000 0.4039645100000000 0.8069325199999999 0.5057564299999999 0.2815500200000000 0.7351580000000000 0.8141880700000000 0.9039645100000000 0.5000000000000000 0.7574564100000000 0.2500000000000000 0.7648420000000000 0.6858119300000001 0.0960354900000000 0.6930674800000001 0.9942435700000000 0.7184499799999999 0.7648420000000000 0.3141880700000000 0.5960354900000000 0.5072320600000000 0.8302179700000000 0.4440799000000000 0.7476840499999999 0.1742161400000000 0.9036997400000000 0.8069325199999999 0.4942435700000000 0.7815500200000001 0.6005614900000000 0.5181872300000000 0.1549806000000000 0.7523159500000001 0.6742161400000000 0.5963002600000000 0.6129734700000000 0.5148309900000000 0.3988501600000000 0.6005614900000000 0.4818127700000000 0.6549806000000000 0.5000000000000000 0.2425435900000000 0.7500000000000000 0.6129734700000000 0.4851690100000000 0.8988501600000000 0.5072320600000000 0.1697820300000000 0.9440799000000000vasp-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 2 3 2 0.000 0.000 0.000