# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/b0c42420-ac1a-408f-9f42-dcd68ae671fb/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 RbHo2Cu3S5 / Cmcm (63) / materials id 17929](https://mdr.nims.go.jp/datasets/09a39f36-b096-4fb9-ab64-d5d76e80e3b9)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     1     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  60</c><c>S </c><c>     32.06600000</c><c>      6.00000000</c><c>  PAW_PBE S 06Sep2000                   </c></rc>    <rc><c>  36</c><c>Cu</c><c>     63.54600000</c><c>     17.00000000</c><c>  PAW_PBE Cu_pv 06Sep2000               </c></rc>    <rc><c>  12</c><c>Rb</c><c>     85.46800000</c><c>      7.00000000</c><c>  PAW_PBE Rb_pv 06Sep2000               </c></rc>    <rc><c>  24</c><c>Ho</c><c>    164.93000000</c><c>      9.00000000</c><c>  PAW_PBE Ho_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 S Cu Rb Ho   1.0     3.8792410700000000    0.0000000000000000    0.0000000000000000     0.0000000000000000   13.6711138800000001    0.0000000000000000     0.0000000000000000    0.0000000000000000   16.1839933199999990 S Cu Rb Ho  20  12   4   8Direct   0.0000000000000000  0.3334274400000000  0.5703054800000000   0.5000000000000000  0.1665725600000000  0.4296945200000000   0.5000000000000000  0.1665725600000000  0.0703054800000000   0.0000000000000000  0.3334274400000000  0.9296945200000000   0.0000000000000000  0.2606690600000000  0.2500000000000000   0.5000000000000000  0.2393309400000000  0.7500000000000000   0.5000000000000000  0.4398685100000000  0.1140897400000000   0.5000000000000000  0.4398685100000000  0.3859102600000000   0.0000000000000000  0.0601314900000000  0.8859102599999999   0.0000000000000000  0.0601314900000000  0.6140897400000001   0.5000000000000000  0.8334274400000000  0.5703054800000000   0.0000000000000000  0.6665725600000000  0.4296945200000000   0.0000000000000000  0.6665725600000000  0.0703054800000000   0.5000000000000000  0.8334274400000000  0.9296945200000000   0.5000000000000000  0.7606690600000000  0.2500000000000000   0.0000000000000000  0.7393309400000000  0.7500000000000000   0.0000000000000000  0.9398685100000000  0.1140897400000000   0.0000000000000000  0.9398685100000000  0.3859102600000000   0.5000000000000000  0.5601314900000001  0.8859102599999999   0.5000000000000000  0.5601314900000001  0.6140897400000001   0.5000000000000000  0.4150531200000000  0.9655822100000000   0.0000000000000000  0.0849468800000000  0.0344177900000000   0.0000000000000000  0.0849468800000000  0.4655822100000000   0.0000000000000000  0.1539979700000000  0.7500000000000000   0.5000000000000000  0.3460020300000000  0.2500000000000000   0.5000000000000000  0.4150531200000000  0.5344177900000000   0.0000000000000000  0.9150531200000001  0.9655822100000000   0.5000000000000000  0.5849468799999999  0.0344177900000000   0.5000000000000000  0.5849468799999999  0.4655822100000000   0.5000000000000000  0.6539979700000000  0.7500000000000000   0.0000000000000000  0.8460020300000000  0.2500000000000000   0.0000000000000000  0.9150531200000001  0.5344177900000000   0.0000000000000000  0.4355332300000000  0.7500000000000000   0.5000000000000000  0.0644667700000000  0.2500000000000000   0.5000000000000000  0.9355332300000000  0.7500000000000000   0.0000000000000000  0.5644667700000000  0.2500000000000000   0.5000000000000000  0.1925807000000000  0.5927578300000000   0.0000000000000000  0.3074193000000000  0.4072421700000000   0.5000000000000000  0.1925807000000000  0.9072421700000000   0.0000000000000000  0.3074193000000000  0.0927578300000000   0.0000000000000000  0.6925806999999999  0.5927578300000000   0.5000000000000000  0.8074193000000001  0.4072421700000000   0.0000000000000000  0.6925806999999999  0.9072421700000000   0.5000000000000000  0.8074193000000001  0.0927578300000000vasp-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