# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/927fa0b5-7560-4e36-bf90-da41ea784acf/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 PrNb5O14 / Pmmn (59) / materials id 28707](https://mdr.nims.go.jp/datasets/66ac39a3-4266-4e57-b900-12da87f92ff2)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 3 1 3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 56O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 20Nb 92.00000000 11.00000000 PAW_PBE Nb_pv 08Apr2002 4Pr 140.90700000 11.00000000 PAW_PBE Pr_3 07Sep2000 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 Nb Pr 1.0 7.7447506700000002 0.0000000000000000 0.0000000000000000 0.0000000000000000 20.2043446600000003 0.0000000000000000 0.0000000000000000 0.0000000000000000 6.2929664199999999 O Nb Pr 56 20 4Direct 0.0000000000000000 0.3191334700000000 0.3247072800000000 0.0000000000000000 0.6808665300000001 0.3247072800000000 0.5000000000000000 0.1808665300000000 0.6752927200000001 0.5000000000000000 0.8191334700000000 0.6752927200000001 0.7109004000000000 0.2230942000000000 0.3356326700000000 0.2890996000000000 0.7769058000000000 0.3356326700000000 0.2109004000000000 0.2769058000000000 0.6643673299999999 0.7890996000000000 0.7230942000000000 0.6643673299999999 0.7890996000000000 0.2769058000000000 0.6643673299999999 0.2109004000000000 0.7230942000000000 0.6643673299999999 0.2890996000000000 0.2230942000000000 0.3356326700000000 0.7109004000000000 0.7769058000000000 0.3356326700000000 0.0000000000000000 0.1710079400000000 0.6194579099999999 0.0000000000000000 0.8289920600000000 0.6194579099999999 0.5000000000000000 0.3289920600000000 0.3805420900000000 0.5000000000000000 0.6710079400000000 0.3805420900000000 0.5000000000000000 0.3978010200000000 0.9039640799999999 0.5000000000000000 0.6021989800000001 0.9039640799999999 0.0000000000000000 0.1021989800000000 0.0960359200000000 0.2444123900000000 0.4346703300000000 0.2325814400000000 0.0000000000000000 0.8978010199999999 0.0960359200000000 0.0000000000000000 0.0000000000000000 0.4937742800000000 0.7444123899999999 0.0653296700000000 0.7674185600000000 0.2555876100000000 0.9346703300000000 0.7674185600000000 0.7662307900000001 0.8159727900000000 0.9283182500000000 0.2337692100000000 0.1840272100000000 0.9283182500000000 0.2662307900000000 0.6840272100000000 0.0716817500000000 0.7337692099999999 0.3159727900000000 0.0716817500000000 0.7337692099999999 0.6840272100000000 0.0716817500000000 0.2662307900000000 0.3159727900000000 0.0716817500000000 0.2337692100000000 0.8159727900000000 0.9283182500000000 0.7662307900000001 0.1840272100000000 0.9283182500000000 0.7378219699999999 0.0000000000000000 0.1578264900000000 0.2621780300000000 0.0000000000000000 0.1578264900000000 0.2378219700000000 0.5000000000000000 0.8421735100000000 0.7621780300000001 0.5000000000000000 0.8421735100000000 0.7547393400000000 0.5968933199999999 0.6070792800000000 0.2452606600000000 0.4031066800000000 0.6070792800000000 0.2547393400000000 0.9031066800000001 0.3929207200000000 0.7452606600000000 0.0968933200000000 0.3929207200000000 0.7452606600000000 0.9031066800000001 0.3929207200000000 0.2547393400000000 0.0968933200000000 0.3929207200000000 0.2452606600000000 0.5968933199999999 0.6070792800000000 0.7547393400000000 0.4031066800000000 0.6070792800000000 0.5000000000000000 0.0000000000000000 0.4979013700000000 0.0000000000000000 0.5000000000000000 0.5020986300000000 0.5000000000000000 0.8830938000000000 0.0913886600000000 0.5000000000000000 0.1169062000000000 0.0913886600000000 0.0000000000000000 0.6169062000000001 0.9086113400000000 0.0000000000000000 0.3830938000000000 0.9086113400000000 0.7444123899999999 0.9346703300000000 0.7674185600000000 0.2555876100000000 0.0653296700000000 0.7674185600000000 0.2444123900000000 0.5653296700000000 0.2325814400000000 0.7555876100000000 0.4346703300000000 0.2325814400000000 0.7555876100000000 0.5653296700000000 0.2325814400000000 0.5000000000000000 0.5000000000000000 0.5062257200000000 0.7510679400000000 0.5000000000000000 0.4907581700000000 0.2489320600000000 0.5000000000000000 0.4907581700000000 0.2510679400000000 0.0000000000000000 0.5092418300000000 0.7489320600000000 0.0000000000000000 0.5092418300000000 0.7517068099999999 0.0945155000000000 0.0591368200000000 0.2482931900000000 0.9054845000000000 0.0591368200000000 0.2517068100000000 0.4054845000000000 0.9408631800000000 0.7482931900000001 0.5945155000000000 0.9408631800000000 0.7482931900000001 0.4054845000000000 0.9408631800000000 0.2517068100000000 0.5945155000000000 0.9408631800000000 0.2482931900000000 0.0945155000000000 0.0591368200000000 0.7517068099999999 0.9054845000000000 0.0591368200000000 0.7523849200000000 0.3269020400000000 0.4041248800000000 0.2476150800000000 0.6730979600000000 0.4041248800000000 0.2523849200000000 0.1730979600000000 0.5958751200000000 0.7476150800000000 0.8269020400000000 0.5958751200000000 0.7476150800000000 0.1730979600000000 0.5958751200000000 0.2523849200000000 0.8269020400000000 0.5958751200000000 0.2476150800000000 0.3269020400000000 0.4041248800000000 0.7523849200000000 0.6730979600000000 0.4041248800000000 0.0000000000000000 0.2628301000000000 0.9528361300000000 0.0000000000000000 0.7371699000000000 0.9528361300000000 0.5000000000000000 0.2371699000000000 0.0471638700000000 0.5000000000000000 0.7628301000000000 0.0471638700000000vasp-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 3 0.000 0.000 0.000