# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/7f0a7eab-c88d-43d5-a082-55f6c652f0dc/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 Dy(BO2)3 / Pnma (62) / materials id 3261](https://mdr.nims.go.jp/datasets/87c99559-4cd3-456f-a329-5853235fe619)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 3 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 48B 10.81100000 3.00000000 PAW_PBE B 06Sep2000 96O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 16Dy 162.50000000 9.00000000 PAW_PBE Dy_3 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 B O Dy 1.0 15.8736131999999994 0.0000000000000000 0.0000000000000000 0.0000000000000000 7.3768040299999997 0.0000000000000000 0.0000000000000000 0.0000000000000000 12.1853433500000001 B O Dy 48 96 16Direct 0.7174146900000000 0.0701300100000000 0.3147978000000000 0.9673441600000000 0.5604259600000000 0.3224403100000000 0.0326558400000000 0.0604259600000000 0.6775596900000000 0.5326558400000000 0.4395740400000000 0.8224403100000000 0.4673441600000000 0.9395740400000000 0.1775596900000000 0.0326558400000000 0.4395740400000000 0.6775596900000000 0.9673441600000000 0.9395740400000000 0.3224403100000000 0.4673441600000000 0.5604259600000000 0.1775596900000000 0.5326558400000000 0.0604259600000000 0.8224403100000000 0.6522675700000000 0.5779843800000000 0.4837598600000000 0.3477324300000000 0.0779843800000000 0.5162401400000001 0.8477324300000000 0.4220156200000000 0.9837598600000000 0.1522675700000000 0.9220156200000000 0.0162401400000000 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0.5897950100000000 0.1725438300000000 0.2500000000000000 0.5640758000000000 0.8274561700000000 0.7500000000000000 0.4359242000000000 0.3274561700000000 0.7500000000000000 0.0640758000000000 0.6725438300000000 0.2500000000000000 0.9359242000000000 0.3790569000000000 0.2500000000000000 0.9903088100000000 0.6209431000000001 0.7500000000000000 0.0096911900000000 0.1209431000000000 0.7500000000000000 0.4903088100000000 0.8790569000000000 0.2500000000000000 0.5096911900000001vasp-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