# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/b7e331e9-7514-4e1e-a0ac-106c82d72fe0/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 MgP(HO)7 / Pbca (61) / materials id 23734](https://mdr.nims.go.jp/datasets/5582fcf4-9f0a-4604-b9af-9db5e8aac26a)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 56H 1.00000000 1.00000000 PAW_PBE H 15Jun2001 56O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 8Mg 24.30500000 8.00000000 PAW_PBE Mg_pv 13Apr2007 8P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 vasp-settings/INCAR-relax PREC = Accurate GGA = PS IBRION = 2 NSW = 20 NELMIN = 5 ISIF = 3 ENCUT = 525.107700 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 H O Mg P 1.0 9.8743222700000004 0.0000000000000000 0.0000000000000000 0.0000000000000000 10.2806165299999996 0.0000000000000000 0.0000000000000000 0.0000000000000000 10.4207929000000004 H O Mg P 56 56 8 8Direct 0.0970487900000000 0.4967135200000000 0.0813763100000000 0.5970487900000000 0.0032864800000000 0.9186236900000000 0.9029512100000000 0.9967135200000000 0.4186236900000000 0.4029512100000000 0.5032864800000000 0.5813763100000000 0.9029512100000000 0.5032864800000000 0.9186236900000000 0.4029512100000000 0.9967135200000000 0.0813763100000000 0.0970487900000000 0.0032864800000000 0.5813763100000000 0.5970487900000000 0.4967135200000000 0.4186236900000000 0.9766675700000000 0.8429850200000000 0.0025187900000000 0.4766675700000000 0.6570149800000000 0.9974812100000000 0.0233324300000000 0.3429850200000000 0.4974812100000000 0.5233324300000000 0.1570149800000000 0.5025187900000000 0.0233324300000000 0.1570149800000000 0.9974812100000000 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0.4158317900000000 0.2928177600000000 0.7538355500000000 0.0841682100000000 0.7071822400000001 0.2538355500000000 0.5841682100000001 0.7928177600000000 0.7461644500000000 0.1576750300000000 0.4891670800000000 0.8720281100000000 0.6576750300000000 0.0108329200000000 0.1279718900000000 0.8423249700000000 0.9891670800000000 0.6279718900000000 0.3423249700000000 0.5108329200000000 0.3720281100000000 0.8423249700000000 0.5108329200000000 0.1279718900000000 0.3423249700000000 0.9891670800000000 0.8720281100000000 0.1576750300000000 0.0108329200000000 0.3720281100000000 0.6576750300000000 0.4891670800000000 0.6279718900000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 525.107700 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 2 2 0.000 0.000 0.000