# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/7d40647f-164b-44dc-ba02-736d9bada5e3/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 Rb10Si6O17 / Pbca (61) / materials id 556390](https://mdr.nims.go.jp/datasets/2ff6b7ac-28da-4dce-99e6-55111c648ec3)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 1 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 40Rb 85.46800000 7.00000000 PAW_PBE Rb_pv 06Sep2000 24Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001 68O 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 = 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 Rb Si O 1.0 12.9052961600000007 0.0000000000000000 0.0000000000000000 0.0000000000000000 13.6601628599999998 0.0000000000000000 0.0000000000000000 0.0000000000000000 13.7883788900000006 Rb Si O 40 24 68Direct 0.4692121300000000 0.2846200800000000 0.8612247300000000 0.7094779500000000 0.2155133700000000 0.0612481700000000 0.1514743000000000 0.4657454800000000 0.4595259500000000 0.0635393100000000 0.4889027000000000 0.7761923900000001 0.5635393100000000 0.0110973000000000 0.2238076100000000 0.8485256999999999 0.9657454800000000 0.0404740500000000 0.2020717700000000 0.1247230000000000 0.7060853600000000 0.2905220500000000 0.7844866300000000 0.9387518300000000 0.5635393100000000 0.4889027000000000 0.7238076099999999 0.5307878700000002 0.7153799199999999 0.1387752700000000 0.9692121299999999 0.2153799200000000 0.1387752700000000 0.4692121300000000 0.2153799200000000 0.3612247300000000 0.0307878700000000 0.7153799199999999 0.3612247300000000 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0.6464620700000000 0.6142360300000000 0.5824135200000000 0.3829051200000000 0.3574948000000000 0.0438414200000000 0.8829051200000000 0.3574948000000000 0.4561585800000000 0.8286801600000000 0.6591599900000000 0.3637744500000000 0.6418504199999999 0.7697366500000000 0.8092299100000000 0.2201693600000000 0.9215571000000000 0.7890365500000001 0.3581495800000000 0.2697366500000000 0.6907700900000000 0.6464620700000000 0.8857639700000000 0.0824135200000000 0.2798306400000000 0.4215571000000000 0.7890365500000001 0.1418504200000000 0.7302633500000000 0.1907700900000000 0.1713198400000000 0.3408400100000000 0.6362255500000000 0.8581495800000000 0.2302633500000000 0.3092299100000000 0.0383960000000000 0.3292327400000000 0.3237411400000000 0.1418504200000000 0.7697366500000000 0.6907700900000000 0.8829051200000000 0.1425052000000000 0.9561585800000000vasp-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 2 1 1 0.000 0.000 0.000