# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/8664cd54-2625-4002-a894-c33cec5a310f/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 RbDy2CuSe4 / Cmcm (63) / materials id 16118](https://mdr.nims.go.jp/datasets/0cdd61df-048f-4eb0-9ea6-a97b89aef363)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     1     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  16</c><c>Cu</c><c>     63.54600000</c><c>     17.00000000</c><c>  PAW_PBE Cu_pv 06Sep2000               </c></rc>    <rc><c>  64</c><c>Se</c><c>     78.96000000</c><c>      6.00000000</c><c>  PAW_PBE Se 06Sep2000                  </c></rc>    <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>  32</c><c>Dy</c><c>    162.50000000</c><c>      9.00000000</c><c>  PAW_PBE Dy_3 06Sep2000                </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 479.242400     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 Cu Se Rb Dy   1.0     4.0745496399999999    0.0000000000000000    0.0000000000000000     0.0000000000000000   14.0865228699999996    0.0000000000000000     0.0000000000000000    0.0000000000000000   14.2038677799999995 Cu Se Rb Dy   4  16   4   8Direct   0.0000000000000000  0.8368768100000000  0.7500000000000000   0.5000000000000000  0.6631231900000000  0.2500000000000000   0.5000000000000000  0.3368768100000000  0.7500000000000000   0.0000000000000000  0.1631231900000000  0.2500000000000000   0.0000000000000000  0.5703304600000000  0.2500000000000000   0.5000000000000000  0.9296695400000000  0.7500000000000000   0.5000000000000000  0.7618152900000000  0.1093679500000000   0.0000000000000000  0.7381847100000001  0.8906320500000000   0.5000000000000000  0.5000000000000000  0.5000000000000000   0.5000000000000000  0.5000000000000000  0.0000000000000000   0.5000000000000000  0.7618152900000000  0.3906320500000000   0.0000000000000000  0.7381847100000001  0.6093679500000000   0.5000000000000000  0.0703304600000000  0.2500000000000000   0.0000000000000000  0.4296695400000000  0.7500000000000000   0.0000000000000000  0.2618152900000000  0.1093679500000000   0.5000000000000000  0.2381847100000000  0.8906320500000000   0.0000000000000000  0.0000000000000000  0.5000000000000000   0.0000000000000000  0.0000000000000000  0.0000000000000000   0.0000000000000000  0.2618152900000000  0.3906320500000000   0.5000000000000000  0.2381847100000000  0.6093679500000000   0.5000000000000000  0.6105980200000001  0.7500000000000000   0.0000000000000000  0.8894019800000000  0.2500000000000000   0.0000000000000000  0.1105980200000000  0.7500000000000000   0.5000000000000000  0.3894019800000000  0.2500000000000000   0.0000000000000000  0.6335634100000000  0.0634023500000000   0.5000000000000000  0.8664365900000000  0.9365976499999999   0.0000000000000000  0.6335634100000000  0.4365976500000000   0.5000000000000000  0.8664365900000000  0.5634023500000001   0.5000000000000000  0.1335634100000000  0.0634023500000000   0.0000000000000000  0.3664365900000000  0.9365976499999999   0.5000000000000000  0.1335634100000000  0.4365976500000000   0.0000000000000000  0.3664365900000000  0.5634023500000001vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 479.242400     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     5     1     1 0.000 0.000 0.000