# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/70e67fc1-6be6-4b4b-8ccb-91118040620c/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 Pr4B10O21 / P2_1/c (14) / materials id 559104](https://mdr.nims.go.jp/datasets/df4c9e7d-cbac-4594-b8f6-715a22c90061)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 3 1 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 16Pr 140.90700000 11.00000000 PAW_PBE Pr_3 07Sep2000 40B 10.81100000 3.00000000 PAW_PBE B 06Sep2000 84O 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 Pr B O 1.0 7.1091693400000002 0.0000000000000000 -0.0142050800000000 0.0000000000000000 19.5141130700000005 0.0000000000000000 -6.5684840299999996 0.0000000000000000 9.5172614499999995 Pr B O 16 40 84Direct 0.5252487100000001 0.0829537900000000 0.6648798400000000 0.0726846000000000 0.2934449100000000 0.1762440500000000 0.9997045300000000 0.0807945000000000 0.1574139100000000 0.5349714500000000 0.2992610600000000 0.6622397799999999 0.9997045300000000 0.4192055000000000 0.6574139100000000 0.5349714500000000 0.2007389400000000 0.1622397800000000 0.4650285500000000 0.7992610600000000 0.8377602200000001 0.4650285500000000 0.7007389399999999 0.3377602200000000 0.0002954700000000 0.5807945000000000 0.3425860900000000 0.4747512900000000 0.5829537900000000 0.8351201600000000 0.4747512900000000 0.9170462100000000 0.3351201600000000 0.0726846000000000 0.2065550900000000 0.6762440500000000 0.5252487100000001 0.4170462100000000 0.1648798400000000 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0.0715688300000000 0.5860197500000000 0.4601007000000000 0.9276446100000000 0.9141902400000000 0.9369108800000000 0.1881798800000000 0.2428289400000000 0.4682768200000000 0.5483988100000000 0.6270013200000000 0.4478556800000000 0.2293454800000000 0.3604080300000000 0.1522487000000000 0.3225679400000000 0.6041829900000000vasp-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 3 1 2 0.000 0.000 0.000