# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/e1dd4b49-0ebb-4edb-9acf-b1306585b81d/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 Na2LiAlP2H2O9 / Pcca (54) / materials id 556641](https://mdr.nims.go.jp/datasets/a93dab84-4e37-47e4-b3c4-2c18bc89bb88)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 3 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 16Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 8Li 7.01000000 3.00000000 PAW_PBE Li_sv 10Sep2004 8Al 26.98100000 3.00000000 PAW_PBE Al 04Jan2001 16P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 16H 1.00000000 1.00000000 PAW_PBE H 15Jun2001 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. 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0.3705245600000000 0.5169087999999999 0.5927239799999999 0.6186698200000000 0.8072366900000000 0.2461270000000000vasp-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 3 1 0.000 0.000 0.000