# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/9ad8ec60-ea6b-45c6-a86e-340807b16d7b/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 Na3B(PO4)2 / C2/c (15) / materials id 559783](https://mdr.nims.go.jp/datasets/551552a7-2a13-4cf1-93fd-58770beb0054)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 24Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 8B 10.81100000 3.00000000 PAW_PBE B 06Sep2000 16P 30.97400000 5.00000000 PAW_PBE P 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 Na B P O 1.0 12.6277541699999993 0.0000000000000000 0.0272922200000000 0.0000000000000000 10.2934134900000007 0.0000000000000000 -0.4018313700000000 0.0000000000000000 10.2016285199999999 Na B P O 24 8 16 64Direct 0.7466870999999999 0.1104165000000000 0.7312007000000000 0.5000000000000000 0.5413898800000000 0.7500000000000000 0.4129521800000000 0.8854887500000000 0.6201470600000001 0.2533129000000000 0.1104165000000000 0.7687993000000000 0.5870478200000000 0.1145112500000000 0.3798529400000000 0.4129521800000000 0.1145112500000000 0.1201470600000000 0.5000000000000000 0.1506817600000000 0.7500000000000000 0.2533129000000000 0.8895835000000000 0.2687993000000000 0.5000000000000000 0.4586101200000000 0.2500000000000000 0.5870478200000000 0.8854887500000000 0.8798529400000000 0.7466870999999999 0.8895835000000000 0.2312007000000000 0.5000000000000000 0.8493182400000000 0.2500000000000000 0.2466871000000000 0.6104164999999999 0.7312007000000000 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0.5880850399999999 0.8699564100000000 0.4014985300000000 0.0808760500000000 0.1300435900000000 0.4014985300000000 0.4191239500000000 0.2807001700000000 0.4051237600000000 0.5943477699999999 0.8688198800000000 0.2495264700000000 0.3740962600000000 0.0354606200000000 0.1234678200000000 0.4195503400000000 0.8699564100000000 0.5985014700000000 0.5808760500000000 0.9031872400000001 0.5586752900000000 0.3376808800000000 0.0957219100000000 0.8390181999999999 0.3958225000000000 0.6344010600000001 0.5052926400000000 0.0880850400000000 0.0968127600000000 0.4413247100000000 0.6623191200000000 0.3655989400000000 0.5052926400000000 0.4119149600000000 0.7192998300000000 0.4051237600000000 0.9056522300000001vasp-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 2 2 2 0.000 0.000 0.000