# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/6b539e59-1aae-4f70-a60c-6cad2f753e50/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 H4NF / R3c (161) / materials id 730190](https://mdr.nims.go.jp/datasets/916f95f4-471a-4d74-959c-90df18443fa1)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 3 3 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 96H 1.00000000 1.00000000 PAW_PBE H 15Jun2001 24N 14.00100000 5.00000000 PAW_PBE N 08Apr2002 24F 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. 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0.0261293600000000 0.4925543100000000 0.4511693300000000 0.4250399500000000 0.4925543100000000 0.6666666700000000 0.3333333300000000 0.2538028800000000 0.6666666700000000 0.3333333300000000 0.7538028800000001 0.9738706400000000 0.4250399500000000 0.9925543100000001 0.4511693300000000 0.0261293600000000 0.9925543100000001 0.5749600500000001 0.5488306700000001 0.9925543100000001 0.6405373100000000 0.8821639999999999 0.8258876400000000 0.2416267100000000 0.3594626900000000 0.8258876400000000 0.1178360000000000 0.7583732900000000 0.8258876400000000vasp-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 3 1 0.000 0.000 0.000