# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/5f22d260-69ee-4c84-bfaf-0bdaf1180e29/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 Na3Sr4Al5F26 / P4_2/n (86) / materials id 667386](https://mdr.nims.go.jp/datasets/42d5f880-4078-4945-82d4-6644f0a9d84a)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 12Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 16Sr 87.62000000 10.00000000 PAW_PBE Sr_sv 07Sep2000 20Al 26.98100000 3.00000000 PAW_PBE Al 04Jan2001 104F 18.99800000 7.00000000 PAW_PBE F 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 Sr Al F 1.0 10.2546576500000004 0.0000000200000000 0.0000000000000000 -0.0000000200000000 10.2546576500000004 0.0000000000000000 0.0000000000000000 0.0000000000000000 18.3204459499999999 Na Sr Al F 12 16 20 104Direct 0.5000000000000000 0.0000000000000000 0.2454482800000000 0.5000000000000000 0.0000000000000000 0.7454482800000000 0.2500000000000000 0.2500000000000000 0.2500000000000000 0.7500000000000000 0.2500000000000000 0.7500000000000000 0.0000000000000000 0.0000000000000000 0.2523906600000000 0.0000000000000000 0.5000000000000000 0.2545517200000000 0.5000000000000000 0.5000000000000000 0.2476093400000000 0.2500000000000000 0.7500000000000000 0.7500000000000000 0.7500000000000000 0.7500000000000000 0.2500000000000000 0.0000000000000000 0.0000000000000000 0.7476093400000000 0.0000000000000000 0.5000000000000000 0.7545517200000000 0.5000000000000000 0.5000000000000000 0.7523906600000000 0.0387295600000000 0.7460509300000000 0.9461155800000000 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0.5531252900000000vasp-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 1 0.000 0.000 0.000