# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/d02ee563-63de-4db4-8201-93cd8d3e3529/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 Tb(BO2)3 / Pnma (62) / materials id 683867](https://mdr.nims.go.jp/datasets/419f966c-6b28-4599-a311-8ec3f65cf28b)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 3 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 16Tb 158.92500000 9.00000000 PAW_PBE Tb_3 06Sep2000 48B 10.81100000 3.00000000 PAW_PBE B 06Sep2000 96O 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 Tb B O 1.0 15.9202303599999997 0.0000000000000000 0.0000000000000000 0.0000000000000000 7.3909064100000004 0.0000000000000000 0.0000000000000000 0.0000000000000000 12.2183034599999996 Tb B O 16 48 96Direct 0.0481381000000000 0.7500000000000000 0.4104186900000000 0.6282182100000000 0.2500000000000000 0.2335411800000000 0.3717817900000000 0.7500000000000000 0.7664588200000000 0.9518619000000000 0.2500000000000000 0.5895813100000000 0.3791510300000000 0.7500000000000000 0.4908094000000000 0.3278486000000000 0.2500000000000000 0.5647174500000001 0.6208489699999999 0.2500000000000000 0.5091905999999999 0.8717817900000000 0.7500000000000000 0.7335411800000000 0.1208489700000000 0.2500000000000000 0.9908094000000000 0.6721514000000000 0.7500000000000000 0.4352825500000000 0.8278486000000000 0.2500000000000000 0.9352825500000000 0.1721514000000000 0.7500000000000000 0.0647174500000000 0.8791510300000001 0.7500000000000000 0.0091906000000000 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0.1053807300000000 0.1851184100000000 0.9662981100000000 0.9227659800000000 0.6642583799999999 0.5659076400000000 0.0648962800000000 0.2764379000000000 0.9799806100000000 0.7695723600000000 0.1642583800000000 0.5659076400000000 0.4351037200000000 0.2543716900000000 0.2500000000000000 0.1440952400000000 0.0695597300000000 0.0593142700000000 0.5673902700000000 0.2235621000000000 0.0200193900000000 0.2695723600000000 0.7456283100000001 0.7500000000000000 0.8559047600000000vasp-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 1 3 2 0.000 0.000 0.000