# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/c94e55bf-6048-4e8e-9178-76a88ee5f344/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 Ho(BO2)3 / Pnma (62) / materials id 680713](https://mdr.nims.go.jp/datasets/3568ffba-2dea-43ee-8216-ecf1ff814819)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 3 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 16Ho 164.93000000 9.00000000 PAW_PBE Ho_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 Ho B O 1.0 15.8294582100000003 0.0000000000000000 0.0000000000000000 0.0000000000000000 7.3636314699999996 0.0000000000000000 0.0000000000000000 0.0000000000000000 12.1543239799999991 Ho B O 16 48 96Direct 0.6729334000000000 0.2500000000000000 0.9365524900000000 0.1285371400000000 0.7500000000000000 0.7639694500000000 0.6210309199999999 0.7500000000000000 0.0101647200000000 0.5483881400000000 0.2500000000000000 0.5899216899999999 0.4516118600000000 0.7500000000000000 0.4100783100000000 0.0483881400000000 0.2500000000000000 0.9100783100000001 0.8789690800000000 0.2500000000000000 0.5101647200000000 0.6285371399999999 0.7500000000000000 0.7360305500000000 0.3270666000000000 0.7500000000000000 0.0634475100000000 0.3714628600000000 0.2500000000000000 0.2639694500000000 0.9516118600000000 0.7500000000000000 0.0899216900000000 0.1210309200000000 0.7500000000000000 0.4898352800000000 0.8714628600000001 0.2500000000000000 0.2360305500000000 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0.9236267000000000 0.0676915900000000 0.2500000000000000 0.6953925100000000 0.7820954900000000 0.0669820100000000 0.8996051300000000 0.7771331900000000 0.4782526100000000 0.2302973500000000 0.9520793800000000 0.4335025400000000 0.6221782499999999 0.4520621700000000 0.7500000000000000 0.5999373800000001 0.8714061900000000 0.5743516500000000 0.7655864000000000 0.4767837700000000 0.4776061500000000 0.2906473900000000 0.2771331900000000 0.4782526100000000 0.2697026500000000vasp-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