# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/fa27029f-b26b-4425-924c-b619df5594c1/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 NaLi3GeO4 / I4_1/a (88) / materials id 561254](https://mdr.nims.go.jp/datasets/e8e2c3b3-1f18-4b96-872c-930d0260392b)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 16Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 48Li 7.01000000 3.00000000 PAW_PBE Li_sv 10Sep2004 16Ge 72.61000000 14.00000000 PAW_PBE Ge_d 03Jul2007 64O 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 Na Li Ge O 1.0 11.0343927500000003 -0.0000000200000000 0.0000000000000000 0.0000000200000000 11.0343927500000003 0.0000000000000000 0.0000000000000000 0.0000000000000000 12.7335538600000007 Na Li Ge O 16 48 16 64Direct 0.2386868100000000 0.7719539700000000 0.7846589100000000 0.7613131900000000 0.7280460300000000 0.4653410900000000 0.7719539700000000 0.7613131900000000 0.2153410900000000 0.7613131900000000 0.2280460300000000 0.7846589100000000 0.2386868100000000 0.2719539700000000 0.4653410900000000 0.2719539700000000 0.7613131900000000 0.5346589100000000 0.2280460300000000 0.7386868100000000 0.0346589100000000 0.7280460300000000 0.7386868100000000 0.7153410900000000 0.7386868100000000 0.2719539700000000 0.2846589100000000 0.2613131900000000 0.2280460300000000 0.9653410900000000 0.2719539700000000 0.2613131900000000 0.7153410900000000 0.2613131900000000 0.7280460300000000 0.2846589100000000 0.7386868100000000 0.7719539700000000 0.9653410900000000 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0.8473548300000000 0.0468611300000000 0.6716758800000000 0.5821392100000000 0.0592412000000000 0.0855340400000000 0.3349380400000000 0.0732746100000000 0.1712128800000000 0.0610922200000000 0.0701110800000000 0.3283241200000000 0.4178607900000000 0.0592412000000000 0.0855340400000000 0.8349380399999999 0.1767253900000000 0.0821392100000000 0.3283241200000000 0.8092412000000000 0.9144659600000000 0.6650619600000001 0.0732746100000000 0.4467155800000000 0.6526451700000000 0.2031388700000000 0.1650619600000000 0.0855340400000000 0.8232746100000000vasp-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 2 2 2 0.000 0.000 0.000