# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/dab9a4a3-b9ff-4e27-af8b-802098a87286/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 KLi(PO3)2 / C2/c (15) / materials id 559142](https://mdr.nims.go.jp/datasets/c8380f4a-4ebd-4efd-8825-7b12740a6aab)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 1 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 16K 39.09800000 7.00000000 PAW_PBE K_pv 17Jan2003 16Li 7.01000000 3.00000000 PAW_PBE Li_sv 10Sep2004 32P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 96O 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 = 648.744200 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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0.3891838300000000 0.5025115400000000 0.9483722200000000 0.6419454400000000 0.5813612100000001 0.6499049800000001 0.0883609200000000 0.6599471299999999 0.9166441100000000 0.5348761900000000 0.8014449600000000 0.1691641000000000 0.2459369500000000 0.0914585100000000 0.0367087600000000 0.2586914100000000 0.4794824600000000 0.7926561900000000 0.9592437500000000 0.4056726100000000 0.9273059000000000 0.2418709700000000 0.3806402500000000 0.8304273500000000 0.7811975200000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 648.744200 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 2 0.000 0.000 0.000