# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/48ea37a5-548c-4860-bf40-110aa0ed6467/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 RbTi2(PO4)3 / R-3c (167) / materials id 6125](https://mdr.nims.go.jp/datasets/af3db4d1-431d-4ce1-bb2e-eaea228dc9a2)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 3 3 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 72O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 18P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 12Ti 47.88000000 10.00000000 PAW_PBE Ti_pv 07Sep2000 6Rb 85.46800000 7.00000000 PAW_PBE Rb_pv 06Sep2000 vasp-settings/INCAR-relax PREC = Accurate GGA = PS IBRION = 2 NSW = 20 NELMIN = 5 ISIF = 3 ENCUT = 520.000000 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 O P Ti Rb 1.0 8.3550959000000002 0.0000000000000000 0.0000000000000000 -4.1775479500000001 7.2357252900000004 0.0000000000000000 0.0000000000000000 0.0000000000000000 23.6658708699999991 O P Ti Rb 72 18 12 6Direct 0.5204833800000002 0.1219264600000000 0.6341607200000000 0.8780735400000000 0.3985569200000000 0.6341607200000000 0.6014430800000000 0.4795166200000000 0.6341607200000000 0.7318902600000000 0.5447402099999998 0.5325059500000000 0.4552597900000000 0.1871500500000000 0.5325059500000000 0.8128499499999999 0.2681097400000000 0.5325059500000000 0.4795166200000000 0.8780735400000000 0.3658392800000000 0.1219264600000000 0.6014430800000000 0.3658392800000000 0.3985569200000000 0.5204833800000002 0.3658392800000000 0.2681097400000000 0.4552597900000000 0.4674940500000000 0.5447402099999998 0.8128499499999999 0.4674940500000000 0.1871500500000000 0.7318902600000000 0.4674940500000000 0.0315754600000000 0.8307044600000000 0.3980206700000000 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0.9684245400000000 0.7991290000000000 0.1019793300000000 0.3017578700000000 0.8359622100000000 0.2686460000000000 0.5342043300000000 0.6982421300000000 0.2686460000000000 0.1640377900000000 0.4657956700000000 0.2686460000000000 0.8359622100000000 0.3017578700000000 0.2313540000000000 0.4657956700000000 0.1640377900000000 0.2313540000000000 0.6982421300000000 0.5342043300000000 0.2313540000000000 0.9454781600000000 0.3333333300000000 0.5833333300000000 0.6666666700000000 0.6121448300000000 0.5833333300000000 0.3878551700000000 0.0545218400000000 0.5833333300000000 0.0545218400000000 0.6666666700000000 0.4166666700000000 0.3333333300000000 0.3878551700000000 0.4166666700000000 0.6121448300000000 0.9454781600000000 0.4166666700000000 0.6121448300000000 0.6666666700000000 0.9166666700000000 0.3333333300000000 0.9454781600000000 0.9166666700000000 0.0545218400000000 0.3878551700000000 0.9166666700000000 0.7211885099999999 0.0000000000000000 0.7500000000000000 0.0000000000000000 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0.1507247700000000 0.3333333300000000 0.6666666700000000 0.3173914400000000 0.6666666700000000 0.3333333300000000 0.1826085600000000 0.0000000000000000 0.0000000000000000 0.5000000000000000 0.6666666700000000 0.3333333300000000 0.3333333300000000 0.6666666700000000 0.3333333300000000 0.8333333300000000 0.3333333300000000 0.6666666700000000 0.6666666700000000 0.3333333300000000 0.6666666700000000 0.1666666700000000 0.0000000000000000 0.0000000000000000 0.0000000000000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 520.000000 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