# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/90bc5802-6e5c-4b21-909d-545e6e8618aa/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 Cd(BiO2)2 / I4_1/amd (141) / materials id 541433](https://mdr.nims.go.jp/datasets/d9eb3aa9-3807-4aaa-9432-1cfce6ecc45f)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 1 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 32Bi 208.98000000 5.00000000 PAW_PBE Bi 08Apr2002 16Cd 112.41100000 12.00000000 PAW_PBE Cd 06Sep2000 64O 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 Cd O 1.0 14.3511101500000002 0.0000000000000000 0.0000000000000000 0.0000000000000000 14.3511101500000002 0.0000000000000000 0.0000000000000000 0.0000000000000000 9.3287954099999997 Bi Cd O 32 16 64Direct 0.8453489100000000 0.8453489100000000 0.5000000000000000 0.6546510900000000 0.8453489100000000 0.2500000000000000 0.8453489100000000 0.6546510900000000 0.7500000000000000 0.6546510900000000 0.6546510900000000 0.0000000000000000 0.1546510900000000 0.6546510900000000 0.7500000000000000 0.3453489100000000 0.6546510900000000 0.0000000000000000 0.1546510900000000 0.8453489100000000 0.5000000000000000 0.3453489100000000 0.8453489100000000 0.2500000000000000 0.0000000000000000 0.1391721800000000 0.8425154100000000 0.8608278200000000 0.5000000000000000 0.0925154100000000 0.1391721800000000 0.5000000000000000 0.0925154100000000 0.0000000000000000 0.8608278200000000 0.8425154100000000 0.8608278200000000 0.0000000000000000 0.1574845900000000 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0.8180216300000001 0.2730416900000000 0.5000000000000000 0.1819783700000000 0.7269583100000000 0.5000000000000000 0.1819783700000000 0.5000000000000000 0.2269583100000000 0.4319783700000000 0.5000000000000000 0.7730416900000000 0.4319783700000000 0.6073340400000000 0.6073340400000000 0.5000000000000000 0.3926659600000000 0.1073340400000000 0.7500000000000000 0.6073340400000000 0.8926659600000000 0.7500000000000000 0.3926659600000000 0.3926659600000000 0.5000000000000000 0.3926659600000000 0.8926659600000000 0.7500000000000000 0.6073340400000000 0.3926659600000000 0.5000000000000000 0.3926659600000000 0.6073340400000000 0.5000000000000000 0.6073340400000000 0.1073340400000000 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 1 1 2 0.000 0.000 0.000