# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/3fd24392-4944-4fae-8442-7ca71b3b85f7/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 Nd(BO2)3 / Pnma (62) / materials id 645340](https://mdr.nims.go.jp/datasets/d99cd729-43cd-488b-acaf-edcd77fd660b)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 3 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 16Nd 144.24000000 11.00000000 PAW_PBE Nd_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. 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0.8926048000000000 0.0495009500000000 0.5611124199999999 0.1251864100000000 0.8701611000000000 0.9267589400000000 0.7338388600000000 0.2252854700000000 0.7500000000000000 0.1354240500000000 0.1665651600000000 0.4412098400000000 0.5672649800000000 0.0475366400000000 0.2500000000000000 0.3926048000000000 0.0728272100000000 0.9492132400000000 0.4341001500000000 0.2746277000000000 0.4874944600000000 0.2316150200000000 0.4062130300000000 0.4629842900000000 0.3717647000000000vasp-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