# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/4e1c7fd9-6ae5-4b61-b26c-3a6ebdf30e2f/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 K4Sr2SnAs4 / P6_3cm (185) / materials id 570311](https://mdr.nims.go.jp/datasets/44dc0baf-5926-486e-924c-e2555bb95865)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     1     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  48</c><c>K </c><c>     39.09800000</c><c>      7.00000000</c><c>  PAW_PBE K_pv 17Jan2003                </c></rc>    <rc><c>  24</c><c>Sr</c><c>     87.62000000</c><c>     10.00000000</c><c>  PAW_PBE Sr_sv 07Sep2000               </c></rc>    <rc><c>  12</c><c>Sn</c><c>    118.71000000</c><c>     14.00000000</c><c>  PAW_PBE Sn_d 06Sep2000                </c></rc>    <rc><c>  48</c><c>As</c><c>     74.92200000</c><c>     15.00000000</c><c>  PAW_PBE As_d 11Apr2003                </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 Sr Sn As   1.0    18.0358015400000014    0.0000000000000000    0.0000000000000000    -9.0179007700000007   15.6194623099999994    0.0000000000000000     0.0000000000000000    0.0000000000000000    7.6163749699999999 K Sr Sn As  24  12   6  24Direct   0.6589221400000000  0.4765716700000000  0.3122509900000000   0.3410778600000000  0.5234283300000000  0.8122509900000000   0.1340218800000000  0.1340218800000000  0.7930018800000000   0.3410778600000000  0.8176495400000000  0.3122509900000000   0.4765716700000000  0.8176495400000000  0.8122509900000000   0.8659781200000000  0.0000000000000000  0.7930018800000000   0.1823504600000000  0.6589221400000000  0.8122509900000000   0.4765716700000000  0.6589221400000000  0.3122509900000000   0.0000000000000000  0.1340218800000000  0.2930018800000000   0.1340218800000000  0.0000000000000000  0.2930018800000000   0.4694936100000000  0.4694936100000000  0.1205081200000000   0.1823504600000000  0.5234283300000000  0.3122509900000000   0.8659781200000000  0.8659781200000000  0.2930018800000000   0.5305063900000000  0.0000000000000000  0.1205081200000000   0.5305063900000000  0.5305063900000000  0.6205081200000000   0.4694936100000000  0.0000000000000000  0.6205081200000000   0.0000000000000000  0.5305063900000000  0.1205081200000000   0.6589221400000000  0.1823504600000000  0.8122509900000000   0.5234283300000000  0.1823504600000000  0.3122509900000000   0.0000000000000000  0.8659781200000000  0.7930018800000000   0.8176495400000000  0.4765716700000000  0.8122509900000000   0.0000000000000000  0.4694936100000000  0.6205081200000000   0.8176495400000000  0.3410778600000000  0.3122509900000000   0.5234283300000000  0.3410778600000000  0.8122509900000000   0.8105325100000000  0.6699210300000000  0.6186979800000000   0.1406114800000000  0.8105325100000000  0.1186979800000000   0.1406114800000000  0.3300789700000000  0.6186979800000000   0.8593885200000000  0.6699210300000000  0.1186979800000000   0.6699210300000000  0.8593885200000000  0.1186979800000000   0.3300789700000000  0.1894674900000000  0.1186979800000000   0.1894674900000000  0.8593885200000000  0.6186979800000000   0.8105325100000000  0.1406114800000000  0.1186979800000000   0.3300789700000000  0.1406114800000000  0.6186979800000000   0.1894674900000000  0.3300789700000000  0.1186979800000000   0.8593885200000000  0.1894674900000000  0.6186979800000000   0.6699210300000000  0.8105325100000000  0.6186979800000000   0.6683137800000001  0.6683137800000001  0.0001439500000000   0.0000000000000000  0.3316862200000000  0.0001439500000000   0.0000000000000000  0.6683137800000001  0.5001439500000000   0.3316862200000000  0.3316862200000000  0.5001439500000000   0.6683137800000001  0.0000000000000000  0.5001439500000000   0.3316862200000000  0.0000000000000000  0.0001439500000000   0.1942512300000000  0.1942512300000000  0.3798325200000000   0.3177786800000000  0.0000000000000000  0.3468474900000000   0.1443540100000000  0.4624299200000000  0.8940090500000000   0.8057487700000000  0.0000000000000000  0.3798325200000000   0.3180758900000000  0.8556459900000000  0.8940090500000000   0.5375700800000001  0.6819241100000000  0.8940090500000000   0.6822213200000000  0.6822213200000000  0.3468474900000000   0.8057487700000000  0.8057487700000000  0.8798325200000000   0.0000000000000000  0.6822213200000000  0.8468474900000000   0.4624299200000000  0.1443540100000000  0.8940090500000000   0.8556459900000000  0.3180758900000000  0.8940090500000000   0.3180758900000000  0.4624299200000000  0.3940090500000000   0.6819241100000000  0.1443540100000000  0.3940090500000000   0.8556459900000000  0.5375700800000001  0.3940090500000000   0.1942512300000000  0.0000000000000000  0.8798325200000000   0.0000000000000000  0.8057487700000000  0.3798325200000000   0.6822213200000000  0.0000000000000000  0.8468474900000000   0.0000000000000000  0.1942512300000000  0.8798325200000000   0.1443540100000000  0.6819241100000000  0.3940090500000000   0.4624299200000000  0.3180758900000000  0.3940090500000000   0.0000000000000000  0.3177786800000000  0.3468474900000000   0.6819241100000000  0.5375700800000001  0.8940090500000000   0.3177786800000000  0.3177786800000000  0.8468474900000000   0.5375700800000001  0.8556459900000000  0.3940090500000000vasp-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     1     1     3 0.000 0.000 0.000