# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/bc7dabf4-17bd-431b-ae02-9ef3210c8b92/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 LiGe2(PO4)3 / R-3c (167) / materials id 541272](https://mdr.nims.go.jp/datasets/9aefb124-20b4-4d92-bc0c-cabcf128f455)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 3 3 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 6Li 7.01000000 3.00000000 PAW_PBE Li_sv 10Sep2004 12Ge 72.61000000 14.00000000 PAW_PBE Ge_d 03Jul2007 18P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 72O 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. NPAR = 4vasp-settings/POSCAR-unitcell Li Ge P O 1.0 8.3253369999999993 0.0000000000000000 0.0000000000000000 -4.1626684999999997 7.2099533400000002 0.0000000000000000 0.0000000000000000 0.0000000000000000 20.4389369999999992 Li Ge P O 6 12 18 72Direct 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.3333333300000000 0.6666666700000000 0.1666666700000000 0.6666666700000000 0.3333333300000000 0.3333333300000000 0.0000000000000000 0.0000000000000000 0.5000000000000000 0.3333333300000000 0.6666666700000000 0.6666666700000000 0.6666666700000000 0.3333333300000000 0.8333333300000000 0.6666666700000000 0.3333333300000000 0.1930536800000000 0.3333333300000000 0.6666666700000000 0.3069463200000000 0.0000000000000000 0.0000000000000000 0.1402796500000000 0.3333333300000000 0.6666666700000000 0.0263870100000000 0.3333333300000000 0.6666666700000000 0.5263870100000000 0.0000000000000000 0.0000000000000000 0.6402796500000000 0.6666666700000000 0.3333333300000000 0.4736129900000000 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0.9139623200000000 0.5078095500000002 0.3581631200000000 0.9139623200000000 0.8503535700000000 0.4921904500000000 0.9139623200000000 0.5170202400000000 0.6914964500000000 0.7472956600000000 0.1744762200000000 0.4829797600000000 0.7472956600000000 0.3085035500000000 0.8255237800000000 0.7472956600000000 0.6914964500000000 0.5170202400000000 0.7527043400000000 0.8255237800000000 0.3085035500000000 0.7527043400000000 0.4829797600000000 0.1744762200000000 0.7527043400000000vasp-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 3 3 1 0.000 0.000 0.000