# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/54a1ef52-6629-4ec4-ba34-ad056c5abc51/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 Bi4(B2O5)3 / C2/c (15) / materials id 768923](https://mdr.nims.go.jp/datasets/a48ef798-1fa1-4713-b34d-039a54f15342)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 4 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 16Bi 208.98000000 5.00000000 PAW_PBE Bi 08Apr2002 24B 10.81100000 3.00000000 PAW_PBE B 06Sep2000 60O 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 Bi B O 1.0 11.8541500499999994 0.0000000000000000 -0.0047915900000000 0.0000000000000000 4.5092223300000001 0.0000000000000000 -2.6042730900000000 0.0000000000000000 19.1423131899999994 Bi B O 16 24 60Direct 0.3558218400000000 0.7049509300000000 0.1984333300000000 0.3695152100000000 0.6941381300000000 0.4047858000000000 0.3558218400000000 0.2950490700000000 0.6984333300000001 0.3695152100000000 0.3058618700000000 0.9047858000000000 0.1304847900000000 0.1941381300000000 0.0952142000000000 0.1441781600000000 0.2049509300000000 0.3015666700000000 0.1304847900000000 0.8058618700000000 0.5952142000000000 0.1441781600000000 0.7950490700000000 0.8015666700000000 0.8558218399999999 0.2049509300000000 0.1984333300000000 0.8695152100000000 0.1941381300000000 0.4047858000000000 0.8558218399999999 0.7950490700000000 0.6984333300000001 0.8695152100000000 0.8058618700000000 0.9047858000000000 0.6304847900000000 0.6941381300000000 0.0952142000000000 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0.7500000000000000vasp-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 2 4 1 0.000 0.000 0.000