# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/63da5d16-3fa7-400e-b4d3-85c91aab2513/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 SrAlF5 / I4 (79) / materials id 540653](https://mdr.nims.go.jp/datasets/1d6ad09a-c9ac-423d-8bc4-f1b5c3f77f0c)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 1 3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 16Sr 87.62000000 10.00000000 PAW_PBE Sr_sv 07Sep2000 16Al 26.98100000 3.00000000 PAW_PBE Al 04Jan2001 80F 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 Sr Al F 1.0 14.1503283999999994 -0.0000000100000000 0.0000000000000000 0.0000000100000000 14.1503283999999994 0.0000000000000000 0.0000000000000000 0.0000000000000000 7.1457167100000003 Sr Al F 16 16 80Direct 0.4487925600000000 0.7233338899999999 0.5047813500000000 0.7766661100000000 0.9487925600000000 0.0047813500000000 0.2233338900000000 0.0512074400000000 0.0047813500000000 0.5512074400000000 0.2766661100000000 0.5047813500000000 0.7532092900000000 0.0682599300000000 0.5047927400000001 0.4317400700000000 0.2532092900000000 0.0047927400000000 0.5682599300000000 0.7467907100000000 0.0047927400000000 0.2467907100000000 0.9317400700000000 0.5047927400000001 0.9487925600000000 0.2233338900000000 0.0047813500000000 0.2766661100000000 0.4487925600000000 0.5047813500000000 0.7233338899999999 0.5512074400000000 0.5047813500000000 0.0512074400000000 0.7766661100000000 0.0047813500000000 0.2532092900000000 0.5682599300000000 0.0047927400000000 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0.3316558900000000 0.2103460300000000 0.6010109200000000 0.6780631400000000 0.8989890800000000 0.7103460300000000 0.1780631400000000 0.1010109200000000 0.2896539700000000 0.1780631400000000 0.7896539700000000 0.3989890800000000 0.6780631400000000 0.2103353000000000 0.6009937300000000 0.3314982200000000 0.8990062700000000 0.7103353000000000 0.8314982200000001 0.1009937300000000 0.2896647000000000 0.8314982200000001 0.7896647000000000 0.3990062700000000 0.3314982200000000 0.7695551800000000 0.2559255400000000 0.0047649300000000 0.2440744600000000 0.2695551800000000 0.5047649300000000 0.7559255400000000 0.7304448200000000 0.5047649300000000 0.2304448200000000 0.7440744600000000 0.0047649300000000vasp-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 1 1 3 0.000 0.000 0.000