# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/1c76dafc-d480-49bb-8d0c-6442288584c3/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 Mg3P2(HO)16 / C2/c (15) / materials id 766572](https://mdr.nims.go.jp/datasets/80564138-bc63-4478-955a-5f3232695361)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 4 1 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 12Mg 24.30500000 8.00000000 PAW_PBE Mg_pv 13Apr2007 8P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 64H 1.00000000 1.00000000 PAW_PBE H 15Jun2001 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 = 525.107700 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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0.9257248400000000 0.1381428000000000 0.2125580900000000 0.8162335199999999 0.1521072000000000 0.1919882800000000 0.0244854500000000 0.1475670200000000 0.1854159000000000 0.1313186800000000 0.1501505000000000 0.1922988300000000 0.2406611500000000 0.1563637400000000 0.2724671000000000 0.8701317500000000 0.4076550400000000 0.3861681500000000 0.8206185699999999 0.9108933299999999 0.3819608400000000 0.9160277200000000 0.9075487200000000 0.2120255200000000 0.0742751600000000 0.6381428000000000 0.2125580900000000 0.1837664800000000 0.6521072000000000 0.1919882800000000 0.9755145500000000 0.6475670200000000 0.1854159000000000 0.8686813200000000 0.6501505000000001 0.2724671000000000 0.1298682500000000 0.9076550400000000 0.8077011700000000 0.2406611500000000 0.3436362600000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 525.107700 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 4 1 2 0.000 0.000 0.000