# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/c4fe6708-3d91-4afc-9469-8d0dbc9cd807/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 Cd3(PO4)2 / Cmce (64) / materials id 27600](https://mdr.nims.go.jp/datasets/d6e239b2-12df-44b7-b3b2-721d08010c26)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 2 3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 64O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 16P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 24Cd 112.41100000 12.00000000 PAW_PBE Cd 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 O P Cd 1.0 15.4048703499999995 0.0000000000000000 0.0000000000000000 0.0000000000000000 11.3178094799999993 0.0000000000000000 0.0000000000000000 0.0000000000000000 7.6643684199999997 O P Cd 64 16 24Direct 0.0000000000000000 0.8969972900000001 0.1266140400000000 0.0000000000000000 0.6030027099999999 0.6266140400000000 0.0000000000000000 0.3969972900000000 0.3733859600000000 0.0000000000000000 0.1030027100000000 0.8733859600000000 0.0000000000000000 0.8831934100000000 0.4707501500000000 0.0000000000000000 0.6168065899999999 0.9707501500000000 0.0000000000000000 0.3831934100000000 0.0292498500000000 0.0000000000000000 0.1168065900000000 0.5292498500000000 0.7332054800000001 0.6400126800000000 0.9166541400000000 0.7667945200000000 0.3599873200000000 0.4166541400000000 0.7667945200000000 0.6400126800000000 0.5833458600000000 0.7332054800000001 0.3599873200000000 0.0833458600000000 0.2667945200000000 0.3599873200000000 0.0833458600000000 0.2332054800000000 0.6400126800000000 0.5833458600000000 0.2332054800000000 0.3599873200000000 0.4166541400000000 0.2667945200000000 0.6400126800000000 0.9166541400000000 0.6668695400000000 0.4882209700000000 0.7269549799999999 0.8331304600000000 0.5117790300000000 0.2269549800000000 0.8331304600000000 0.4882209700000000 0.7730450200000000 0.6668695400000000 0.5117790300000000 0.2730450200000000 0.0848628000000000 0.2576273400000000 0.7042185100000000 0.9151372000000000 0.2423726600000000 0.2042185100000000 0.9151372000000000 0.7576273400000000 0.7957814900000000 0.0848628000000000 0.7423726600000000 0.2957814900000000 0.9151372000000000 0.7423726600000000 0.2957814900000000 0.0848628000000000 0.7576273400000000 0.7957814900000000 0.0848628000000000 0.2423726600000000 0.2042185100000000 0.9151372000000000 0.2576273400000000 0.7042185100000000 0.3331304600000000 0.4882209700000000 0.7269549799999999 0.1668695400000000 0.5117790300000000 0.2269549800000000 0.1668695400000000 0.4882209700000000 0.7730450200000000 0.3331304600000000 0.5117790300000000 0.2730450200000000 0.5000000000000000 0.3969972900000000 0.1266140400000000 0.5000000000000000 0.1030027100000000 0.6266140400000000 0.5000000000000000 0.8969972900000001 0.3733859600000000 0.5000000000000000 0.6030027099999999 0.8733859600000000 0.5000000000000000 0.3831934100000000 0.4707501500000000 0.5000000000000000 0.1168065900000000 0.9707501500000000 0.5000000000000000 0.8831934100000000 0.0292498500000000 0.5000000000000000 0.6168065899999999 0.5292498500000000 0.2332054800000000 0.1400126800000000 0.9166541400000000 0.2667945200000000 0.8599873200000000 0.4166541400000000 0.2667945200000000 0.1400126800000000 0.5833458600000000 0.2332054800000000 0.8599873200000000 0.0833458600000000 0.7667945200000000 0.8599873200000000 0.0833458600000000 0.7332054800000001 0.1400126800000000 0.5833458600000000 0.7332054800000001 0.8599873200000000 0.4166541400000000 0.7667945200000000 0.1400126800000000 0.9166541400000000 0.1668695400000000 0.9882209700000000 0.7269549799999999 0.3331304600000000 0.0117790300000000 0.2269549800000000 0.3331304600000000 0.9882209700000000 0.7730450200000000 0.1668695400000000 0.0117790300000000 0.2730450200000000 0.5848628000000000 0.7576273400000000 0.7042185100000000 0.4151372000000000 0.7423726600000000 0.2042185100000000 0.4151372000000000 0.2576273400000000 0.7957814900000000 0.5848628000000000 0.2423726600000000 0.2957814900000000 0.4151372000000000 0.2423726600000000 0.2957814900000000 0.5848628000000000 0.2576273400000000 0.7957814900000000 0.5848628000000000 0.7423726600000000 0.2042185100000000 0.4151372000000000 0.7576273400000000 0.7042185100000000 0.8331304600000000 0.9882209700000000 0.7269549799999999 0.6668695400000000 0.0117790300000000 0.2269549800000000 0.6668695400000000 0.9882209700000000 0.7730450200000000 0.8331304600000000 0.0117790300000000 0.2730450200000000 0.0000000000000000 0.8179123600000000 0.2947859100000000 0.0000000000000000 0.6820876400000000 0.7947859100000000 0.0000000000000000 0.3179123600000000 0.2052140900000000 0.0000000000000000 0.1820876400000000 0.7052140900000000 0.7500000000000000 0.5642061300000000 0.7500000000000000 0.7500000000000000 0.4357938700000000 0.2500000000000000 0.2500000000000000 0.4357938700000000 0.2500000000000000 0.2500000000000000 0.5642061300000000 0.7500000000000000 0.5000000000000000 0.3179123600000000 0.2947859100000000 0.5000000000000000 0.1820876400000000 0.7947859100000000 0.5000000000000000 0.8179123600000000 0.2052140900000000 0.5000000000000000 0.6820876400000000 0.7052140900000000 0.2500000000000000 0.0642061300000000 0.7500000000000000 0.2500000000000000 0.9357938700000000 0.2500000000000000 0.7500000000000000 0.9357938700000000 0.2500000000000000 0.7500000000000000 0.0642061300000000 0.7500000000000000 0.6081727200000000 0.5000000000000000 0.0000000000000000 0.8918272800000000 0.5000000000000000 0.5000000000000000 0.3918272800000000 0.5000000000000000 0.0000000000000000 0.1081727200000000 0.5000000000000000 0.5000000000000000 0.8590115400000000 0.1728017100000000 0.4436124300000000 0.1409884600000000 0.3271982900000000 0.9436124299999999 0.1409884600000000 0.6728017100000000 0.0563875700000000 0.8590115400000000 0.8271982900000000 0.5563875700000001 0.1409884600000000 0.8271982900000000 0.5563875700000001 0.8590115400000000 0.6728017100000000 0.0563875700000000 0.8590115400000000 0.3271982900000000 0.9436124299999999 0.1409884600000000 0.1728017100000000 0.4436124300000000 0.1081727200000000 0.0000000000000000 0.0000000000000000 0.3918272800000000 0.0000000000000000 0.5000000000000000 0.8918272800000000 0.0000000000000000 0.0000000000000000 0.6081727200000000 0.0000000000000000 0.5000000000000000 0.3590115400000000 0.6728017100000000 0.4436124300000000 0.6409884600000000 0.8271982900000000 0.9436124299999999 0.6409884600000000 0.1728017100000000 0.0563875700000000 0.3590115400000000 0.3271982900000000 0.5563875700000001 0.6409884600000000 0.3271982900000000 0.5563875700000001 0.3590115400000000 0.1728017100000000 0.0563875700000000 0.3590115400000000 0.8271982900000000 0.9436124299999999 0.6409884600000000 0.6728017100000000 0.4436124300000000vasp-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 2 3 0.000 0.000 0.000