# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/dc89711d-998e-4dd4-8e05-e0c8c4241c96/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 In(PO3)3 / Cc (9) / materials id 14535](https://mdr.nims.go.jp/datasets/e632d94d-0a78-4d8d-895b-5ddedadb5580)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 1 3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 108O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 36P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 12In 114.82000000 13.00000000 PAW_PBE In_d 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 P In 1.0 13.6182414600000001 0.0000000000000000 0.0007404400000000 0.0000000000000000 19.7440683600000000 0.0000000000000000 -5.8587648799999998 0.0000000000000000 7.7658294999999997 O P In 108 36 12Direct 0.2541077100000000 0.9952270600000001 0.8623824400000000 0.7541077100000000 0.5047729399999998 0.3623824400000000 0.4533239600000000 0.7094098900000000 0.3610556600000000 0.9533239600000000 0.7905901100000000 0.8610556600000000 0.5326824000000000 0.6440471999999999 0.2196610900000000 0.0326824000000000 0.8559528000000001 0.7196610900000000 0.6828912700000001 0.6435668500000000 0.0239881600000000 0.1828912700000000 0.8564331500000000 0.5239881600000000 0.0727496400000000 0.9353074600000000 0.2828715800000000 0.5727496400000001 0.5646925400000000 0.7828715800000000 0.8727283299999999 0.7156355200000000 0.1894540700000000 0.3727283300000000 0.7843644800000000 0.6894540700000000 0.9501570800000000 0.8639295100000000 0.3431915500000000 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0.3590289400000000 0.7819587500000000 0.6745305100000001 0.1409710600000000 0.2819587500000000 0.0449966300000000 0.4694872300000000 0.8187231400000000 0.5449966300000000 0.0305127700000000 0.3187231400000000 0.2534313000000000 0.4722583300000000 0.6542747799999999 0.7534313000000000 0.0277416700000000 0.1542747800000000 0.2639124300000000 0.1943947500000000 0.1809203600000000 0.7639124300000000 0.3056052500000000 0.6809203600000000 0.2632639300000000 0.1366885300000000 0.6711392199999999 0.7632639300000000 0.3633114700000000 0.1711392200000000 0.8982699500000000 0.9100694000000000 0.4877776100000000 0.3982699500000000 0.5899306000000000 0.9877776100000000 0.9179301900000000 0.7432958700000001 0.0232042700000000 0.4179301900000000 0.7567041300000000 0.5232042700000000 0.9003620300000000 0.5780436500000000 0.4887649200000000 0.4003620300000000 0.9219563500000000 0.9887649200000000 0.3982699500000000 0.4100694000000000 0.4877776100000000 0.8982699500000000 0.0899306000000000 0.9877776100000000 0.4179301900000000 0.2432958700000000 0.0232042700000000 0.9179301900000000 0.2567041300000000 0.5232042700000000 0.4003620300000000 0.0780436500000000 0.4887649200000000 0.9003620300000000 0.4219563500000000 0.9887649200000000vasp-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 1 3 0.000 0.000 0.000