# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/d1500857-3b09-4ff9-98d9-94cab1b9df0b/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 Rb2CdSiO4 / C222_1 (20) / materials id 558568](https://mdr.nims.go.jp/datasets/b571c222-0a2c-4bfa-bffe-9e4e2af2ca69)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  32</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>Cd</c><c>    112.41100000</c><c>     12.00000000</c><c>  PAW_PBE Cd 06Sep2000                  </c></rc>    <rc><c>  16</c><c>Si</c><c>     28.08500000</c><c>      4.00000000</c><c>  PAW_PBE Si 05Jan2001                  </c></rc>    <rc><c>  64</c><c>O </c><c>     16.00000000</c><c>      6.00000000</c><c>  PAW_PBE O 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/POSCAR-unitcell Rb Cd Si O   1.0    10.9915039199999995    0.0000000000000000    0.0000000000000000     0.0000000000000000   11.4856308100000000    0.0000000000000000     0.0000000000000000    0.0000000000000000   16.7296196799999990 Rb Cd Si O  32  16  16  64Direct   0.4900099500000000  0.7513382900000000  0.6408212000000000   0.0404029300000000  0.0000000000000000  0.5000000000000000   0.7455159499999999  0.0073244400000000  0.6083065500000000   0.6977777900000000  0.2478155700000000  0.7670462100000000   0.7455159499999999  0.9926755600000000  0.3916934500000000   0.2544840500000000  0.9926755600000000  0.1083065500000000   0.5577519900000000  0.0000000000000000  0.0000000000000000   0.5099900500000000  0.2486617100000000  0.1408212000000000   0.4900099500000000  0.2486617100000000  0.3591788000000000   0.3022222100000000  0.2478155700000000  0.7329537900000000   0.3022222100000000  0.7521844300000000  0.2670462100000000   0.4422480100000000  0.0000000000000000 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0.4215041600000000   0.8668553900000000  0.6704682500000000  0.0087903800000000   0.0184046600000000  0.9122375900000000  0.6689181100000000   0.9815953400000000  0.9122375900000000  0.8310818900000000   0.0184046600000000  0.0877624100000000  0.3310818900000000   0.6224770399999999  0.5757499900000000  0.7553196400000000   0.7401486600000000  0.3261365700000000  0.5827249900000000   0.2687238800000000  0.6381086600000000  0.9215041600000000   0.1331446100000000  0.6704682500000000  0.4912096200000000   0.1207416500000000  0.4319687000000000  0.7597033399999999   0.0157568400000000  0.5985363900000000  0.6693724800000000   0.7401486600000000  0.6738634299999999  0.4172750100000000   0.8756976400000001  0.8084010100000000  0.5170431799999999   0.3775229600000000  0.4242500100000000  0.2553196400000000   0.2598513400000000  0.3261365700000000  0.9172750100000000   0.0157568400000000  0.4014636100000000  0.3306275200000000   0.6224770399999999  0.4242500100000000  0.2446803600000000   0.1243023600000000  0.8084010100000000  0.9829568200000000   0.8756976400000001  0.1915989900000000  0.4829568200000000vasp-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     2     1 0.000 0.000 0.000