# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/3affb68b-7bd9-43e7-b840-0ea06b3a1831/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 K3Dy(AsS4)2 / C2/c (15) / materials id 866661](https://mdr.nims.go.jp/datasets/e22744b4-6a58-4686-879f-26ab59126dd3)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     1     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  24</c><c>K </c><c>     39.09800000</c><c>      7.00000000</c><c>  PAW_PBE K_pv 17Jan2003                </c></rc>    <rc><c>   8</c><c>Dy</c><c>    162.50000000</c><c>      9.00000000</c><c>  PAW_PBE Dy_3 06Sep2000                </c></rc>    <rc><c>  16</c><c>As</c><c>     74.92200000</c><c>     15.00000000</c><c>  PAW_PBE As_d 11Apr2003                </c></rc>    <rc><c>  64</c><c>S </c><c>     32.06600000</c><c>      6.00000000</c><c>  PAW_PBE S 06Sep2000                   </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 375.246300     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 K Dy As S   1.0    10.2865055000000005    0.0000000000000000   -0.0662684100000000     0.0000000000000000   18.7771556199999985    0.0000000000000000    -4.1126995500000003    0.0000000000000000    7.9217273500000003 K Dy As S  12   4   8  32Direct   0.5000000000000000  0.2415685000000000  0.7500000000000000   0.0000000000000000  0.2584315000000000  0.2500000000000000   0.5000000000000000  0.0000000000000000  0.0000000000000000   0.0000000000000000  0.5000000000000000  0.5000000000000000   0.0000000000000000  0.0055903000000000  0.2500000000000000   0.5000000000000000  0.4944097000000000  0.7500000000000000   0.0000000000000000  0.7415685000000001  0.7500000000000000   0.5000000000000000  0.7584315000000000  0.2500000000000000   0.0000000000000000  0.5000000000000000  0.0000000000000000   0.5000000000000000  0.0000000000000000  0.5000000000000000   0.5000000000000000  0.5055902999999999  0.2500000000000000   0.0000000000000000  0.9944097000000000  0.7500000000000000   0.5000000000000000  0.2570732200000000  0.2500000000000000   0.0000000000000000  0.2429267800000000  0.7500000000000000   0.0000000000000000  0.7570732200000000  0.2500000000000000   0.5000000000000000  0.7429267800000000  0.7500000000000000   0.2174500700000000  0.1247079100000000  0.0974672900000000   0.7825499300000001  0.1247079100000000  0.4025327100000000   0.2825499300000000  0.3752920900000000  0.9025327100000000   0.7174500699999999  0.3752920900000000  0.5974672900000000   0.7174500699999999  0.6247079099999999  0.0974672900000000   0.2825499300000000  0.6247079099999999  0.4025327100000000   0.7825499300000001  0.8752920900000000  0.9025327100000000   0.2174500700000000  0.8752920900000000  0.5974672900000000   0.2020988300000000  0.3244685800000000  0.0631167800000000   0.7979011700000000  0.3244685800000000  0.4368832200000000   0.2979011700000000  0.1755314200000000  0.9368832200000000   0.7020988300000000  0.1755314200000000  0.5631167800000000   0.5183223000000000  0.3545060500000000  0.0311460500000000   0.4816777000000000  0.3545060500000000  0.4688539500000000   0.9816777000000000  0.1454939500000000  0.9688539500000000   0.0183223000000000  0.1454939500000000  0.5311460500000000   0.2525387300000000  0.0122759700000000  0.1245971800000000   0.7474612700000001  0.0122759700000000  0.3754028200000000   0.2474612700000000  0.4877240300000000  0.8754028200000000   0.7525387299999999  0.4877240300000000  0.6245971800000000   0.6792937200000000  0.1783417400000000  0.1578924500000000   0.3207062800000000  0.1783417400000000  0.3421075500000000   0.8207062800000000  0.3216582600000000  0.8421075500000000   0.1792937200000000  0.3216582600000000  0.6578924500000001   0.7020988300000000  0.8244685800000000  0.0631167800000000   0.2979011700000000  0.8244685800000000  0.4368832200000000   0.7979011700000000  0.6755314200000000  0.9368832200000000   0.2020988300000000  0.6755314200000000  0.5631167800000000   0.0183223000000000  0.8545060500000000  0.0311460500000000   0.9816777000000000  0.8545060500000000  0.4688539500000000   0.4816777000000000  0.6454939500000000  0.9688539500000000   0.5183223000000000  0.6454939500000000  0.5311460500000000   0.7525387299999999  0.5122759700000000  0.1245971800000000   0.2474612700000000  0.5122759700000000  0.3754028200000000   0.7474612700000001  0.9877240300000000  0.8754028200000000   0.2525387300000000  0.9877240300000000  0.6245971800000000   0.1792937200000000  0.6783417400000000  0.1578924500000000   0.8207062800000000  0.6783417400000000  0.3421075500000000   0.3207062800000000  0.8216582600000000  0.8421075500000000   0.6792937200000000  0.8216582600000000  0.6578924500000001vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 375.246300     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     3 0.000 0.000 0.000