# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/afebb2b6-90a6-4a8d-bc31-c75dedf45a26/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 RbPbF3 / Cc (9) / materials id 674508](https://mdr.nims.go.jp/datasets/fc6eb8ef-22fd-4767-b86a-b454aa373ca2)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     1     2 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     2     3     4 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  16</c><c>Rb</c><c>     85.46800000</c><c>      7.00000000</c><c>  PAW_PBE Rb_pv 06Sep2000               </c></rc>    <rc><c>  16</c><c>Pb</c><c>    207.20000000</c><c>     14.00000000</c><c>  PAW_PBE Pb_d 06Sep2000                </c></rc>    <rc><c>  48</c><c>F </c><c>     18.99800000</c><c>      7.00000000</c><c>  PAW_PBE F 08Apr2002                   </c></rc>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/INCAR-nac      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.  LEPSILON = .TRUE.vasp-settings/POSCAR-unitcell Rb Pb F   1.0    11.2216450800000000    0.0000000000000000    0.0000241400000000     0.0000000000000000    6.7393311100000002    0.0000000000000000    -3.5853410600000002    0.0000000000000000    5.4716836500000001 Rb Pb F   4   4  12Direct   0.9611104100000000  0.2499293100000000  0.7566127499999999   0.4611104100000000  0.2500706900000000  0.2566127500000000   0.4611104100000000  0.7499293100000000  0.7566127499999999   0.9611104100000000  0.7500706900000000  0.2566127500000000   0.7013161600000000  0.2500336800000000  0.0162210200000000   0.2013161600000000  0.2499663200000000  0.5162210199999999   0.2013161600000000  0.7500336800000000  0.0162210200000000   0.7013161600000000  0.7499663200000000  0.5162210199999999   0.4587105300000000  0.3350278200000000  0.8174932400000000   0.1367778800000000  0.4869930700000000  0.1737582600000000   0.1367778800000000  0.5130069300000000  0.6737582600000001   0.9587105299999999  0.1649721800000000  0.3174932400000000   0.2218009000000000  0.9277526800000000  0.3441093500000000   0.2218009000000000  0.0722473200000000  0.8441093500000000   0.9587105299999999  0.8350278200000000  0.8174932400000000   0.6367778800000000  0.9869930700000000  0.1737582600000000   0.6367778800000000  0.0130069300000000  0.6737582600000001   0.4587105300000000  0.6649721800000000  0.3174932400000000   0.7218009000000001  0.4277526800000000  0.3441093500000000   0.7218009000000001  0.5722473200000000  0.8441093500000000vasp-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     3     4 0.000 0.000 0.000