# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/d8b52bec-bc7d-4e26-8c44-d50585b96129/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 Sm7BP2O17 / P2_1/c (14) / materials id 558842](https://mdr.nims.go.jp/datasets/523c93fa-c082-471c-bebe-fec9f93c5435)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 3 1 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 28Sm 150.36000000 11.00000000 PAW_PBE Sm_3 07Sep2000 4B 10.81100000 3.00000000 PAW_PBE B 06Sep2000 8P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 68O 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 Sm B P O 1.0 6.7349560700000000 0.0000000000000000 -0.0192158700000000 0.0000000000000000 17.3673708600000012 0.0000000000000000 -5.2580697399999998 0.0000000000000000 12.0462749400000000 Sm B P O 28 4 8 68Direct 0.7961066000000000 0.2762620500000000 0.8207914000000001 0.7796329300000000 0.1351469700000000 0.5692946800000001 0.7173126900000000 0.7753245800000000 0.4040724200000000 0.2203670700000000 0.6351469700000000 0.9307053199999999 0.1970681800000000 0.9820373700000000 0.7104849000000000 0.1861970800000000 0.6528221200000000 0.4256345200000000 0.6882964400000000 0.8951596400000000 0.6979324800000000 0.8138029200000000 0.1528221200000000 0.0743654800000000 0.2038934000000000 0.7762620500000000 0.6792085999999999 0.7194727000000001 0.5550252600000001 0.4944550000000000 0.8029318200000000 0.4820373700000000 0.7895151000000000 0.2826873100000000 0.2753245800000000 0.0959275800000000 0.2826873100000000 0.2246754200000000 0.5959275800000000 0.1970681800000000 0.5179626300000000 0.2104849000000000 0.8138029200000000 0.3471778800000000 0.5743654800000000 0.1861970800000000 0.8471778800000000 0.9256345200000000 0.2203670700000000 0.8648530300000000 0.4307053200000000 0.8029318200000000 0.0179626300000000 0.2895151000000000 0.2805273000000000 0.4449747400000000 0.5055450000000000 0.7796329300000000 0.3648530300000000 0.0692946800000000 0.7173126900000000 0.7246754200000001 0.9040724200000000 0.3117035600000000 0.3951596400000000 0.8020675200000000 0.6882964400000000 0.6048403600000001 0.1979324800000000 0.3117035600000000 0.1048403600000000 0.3020675200000000 0.7194727000000001 0.9449747400000000 0.9944550000000000 0.2805273000000000 0.0550252600000000 0.0055450000000000 0.2038934000000000 0.7237379500000001 0.1792086000000000 0.7961066000000000 0.2237379500000000 0.3207914000000000 0.2488804100000000 0.0677953700000000 0.4981949400000000 0.7511195900000001 0.9322046300000000 0.5018050600000000 0.7511195900000001 0.5677953700000000 0.0018050600000000 0.2488804100000000 0.4322046300000000 0.9981949400000000 0.2876547800000000 0.1983782300000000 0.8367620400000000 0.2220255800000000 0.9368449900000000 0.1828383100000000 0.7779744200000001 0.0631550100000000 0.8171616900000001 0.7123452200000000 0.6983782300000000 0.6632379600000000 0.2220255800000000 0.5631550100000000 0.6828383099999999 0.7123452200000000 0.8016217700000000 0.1632379600000000 0.2876547800000000 0.3016217700000000 0.3367620400000000 0.7779744200000001 0.4368449900000000 0.3171616900000000 0.7968715800000000 0.8568209500000000 0.8808832800000000 0.3697903100000000 0.7427895300000000 0.3747818000000000 0.9561778800000000 0.1316944100000000 0.2611869600000000 0.3697903100000000 0.7572104700000000 0.8747818000000001 0.5746651700000001 0.7403079900000000 0.1932414800000000 0.7968715800000000 0.6431790500000000 0.3808832800000000 0.7118639200000000 0.3585128100000000 0.2620460900000000 0.8776407600000000 0.8300046900000000 0.2766822800000000 0.8019340800000000 0.9885483600000000 0.5833454600000000 0.5650360400000001 0.8660505500000000 0.0919621200000000 0.2881360800000000 0.8585128100000000 0.2379539100000000 0.1980659200000000 0.4885483600000000 0.9166545400000000 0.1677772400000000 0.2343162300000000 0.9036450600000000 0.8322227600000001 0.7656837700000000 0.0963549400000000 0.5984868300000000 0.8763805300000000 0.5009279200000001 0.9561778800000000 0.3683055900000000 0.7611869600000000 0.2031284200000000 0.3568209500000000 0.6191167200000001 0.1223592400000000 0.3300046900000000 0.2233177200000000 0.6327061600000000 0.0418175500000000 0.0986395300000000 0.5746651700000001 0.7596920100000000 0.6932414800000000 0.4253348300000000 0.2596920100000000 0.8067585200000000 0.8471961700000000 0.5800712900000000 0.9289515500000000 0.6851929500000000 0.3911943500000000 0.8771220400000000 0.9797839400000000 0.4686452800000000 0.3033113300000000 0.7118639200000000 0.1414871900000000 0.7620460900000000 0.3148070500000000 0.8911943500000000 0.6228779600000001 0.0955581800000000 0.7353735800000001 0.9920742400000000 0.8019340800000000 0.5114516400000000 0.0833454600000000 0.9044418200000000 0.2646264200000000 0.0079257600000000 0.8471961700000000 0.9199287100000000 0.4289515500000000 0.8509727100000000 0.4361777200000000 0.4458231900000000 0.4015131700000000 0.3763805300000000 0.9990720800000000 0.4349639600000000 0.3660505500000000 0.4080378800000000 0.0202160600000000 0.9686452800000001 0.1966886700000000 0.6302096900000000 0.2572104700000000 0.6252181999999999 0.8509727100000000 0.0638222800000000 0.9458231900000000 0.1528038300000000 0.0800712900000000 0.5710484499999999 0.3672938400000000 0.5418175500000000 0.4013604700000000 0.6851929500000000 0.1088056500000000 0.3771220400000000 0.4253348300000000 0.2403079900000000 0.3067585200000000 0.0438221200000000 0.8683055900000000 0.7388130399999999 0.5984868300000000 0.6236194700000000 0.0009279200000000 0.5879519600000001 0.4948931900000000 0.2687255900000000 0.5879519600000001 0.0051068100000000 0.7687255900000000 0.1490272900000000 0.5638222800000000 0.5541768100000000 0.0438221200000000 0.6316944099999999 0.2388130400000000 0.3148070500000000 0.6088056500000000 0.1228779600000000 0.4015131700000000 0.1236194700000000 0.4990720800000000 0.1528038300000000 0.4199287100000000 0.0710484500000000 0.2881360800000000 0.6414871900000000 0.7379539100000000 0.1980659200000000 0.0114516400000000 0.4166545400000000 0.4120480400000000 0.9948931900000000 0.2312744100000000 0.9797839400000000 0.0313547200000000 0.8033113300000000 0.4349639600000000 0.1339494500000000 0.9080378800000000 0.0202160600000000 0.5313547199999999 0.6966886700000000 0.9044418200000000 0.2353735800000000 0.5079257600000000 0.1223592400000000 0.1699953100000000 0.7233177200000001 0.4120480400000000 0.5051068100000000 0.7312744099999999 0.8776407600000000 0.6699953100000000 0.7766822799999999 0.5650360400000001 0.6339494500000000 0.5919621200000000 0.1677772400000000 0.2656837700000000 0.4036450600000000 0.3672938400000000 0.9581824500000000 0.9013604700000000 0.6327061600000000 0.4581824500000000 0.5986395300000000 0.6302096900000000 0.2427895300000000 0.1252182000000000 0.1490272900000000 0.9361777200000000 0.0541768100000000 0.2031284200000000 0.1431790500000000 0.1191167200000000 0.8322227600000001 0.7343162300000000 0.5963549400000000 0.0955581800000000 0.7646264200000000 0.4920742400000000vasp-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 1 2 0.000 0.000 0.000