# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/5f3d5213-2fee-45d0-833b-d2532f4923c6/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 K5SnSb3 / P2_1/c (14) / materials id 5367](https://mdr.nims.go.jp/datasets/d921a360-cd71-4022-b0f5-69da38d3d5f2)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     1     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  80</c><c>K </c><c>     39.09800000</c><c>      7.00000000</c><c>  PAW_PBE K_pv 17Jan2003                </c></rc>    <rc><c>  16</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>Sb</c><c>    121.75000000</c><c>      5.00000000</c><c>  PAW_PBE Sb 06Sep2000                  </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 313.407900     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 Sn Sb   1.0     9.8258343499999992    0.0000000000000000   -0.0289549100000000     0.0000000000000000    8.6934612900000001    0.0000000000000000    -9.7925124399999994    0.0000000000000000   16.0092057099999998 K Sn Sb  20   4  12Direct   0.3363086300000000  0.8377919600000000  0.2602279900000000   0.6636913700000000  0.3377919600000000  0.2397720100000000   0.6636913700000000  0.1622080400000000  0.7397720100000000   0.3363086300000000  0.6622080400000000  0.7602279900000000   0.6571181400000000  0.8261340000000000  0.5782294500000000   0.3428818600000000  0.3261340000000000  0.9217705500000000   0.3428818600000000  0.1738660000000000  0.4217705500000000   0.6571181400000000  0.6738660000000001  0.0782294500000000   0.6109449499999999  0.9970354000000000  0.9116961800000000   0.3890550500000000  0.4970354000000000  0.5883038199999999   0.3890550500000000  0.0029646000000000  0.0883038200000000   0.6109449499999999  0.5029646000000000  0.4116961800000000   0.7592114300000000  0.4810852500000000  0.9218672100000000   0.2407885700000000  0.9810852500000000  0.5781327900000000   0.2407885700000000  0.5189147500000000  0.0781327900000000   0.7592114300000000  0.0189147500000000  0.4218672100000000   0.0508561200000000  0.0058926700000000  0.7444126099999999   0.9491438800000001  0.5058926699999999  0.7555873900000000   0.9491438800000001  0.9941073300000000  0.2555873900000000   0.0508561200000000  0.4941073300000000  0.2444126100000000   0.9854028700000000  0.6440447200000000  0.4127632000000000   0.0145971300000000  0.1440447200000000  0.0872368000000000   0.0145971300000000  0.3559552800000000  0.5872368000000000   0.9854028700000000  0.8559552800000000  0.9127632000000000   0.2614208000000000  0.7367191799999999  0.9194931100000000   0.7385792000000000  0.2367191800000000  0.5805068900000000   0.7385792000000000  0.2632808200000000  0.0805068900000000   0.2614208000000000  0.7632808200000000  0.4194931100000000   0.9835362700000000  0.8111858900000000  0.0659475300000000   0.0164637300000000  0.3111858900000000  0.4340524700000000   0.0164637300000000  0.1888141100000000  0.9340524700000000   0.9835362700000000  0.6888141100000000  0.5659475300000000   0.6902174599999999  0.7342301900000000  0.2705378400000000   0.3097825400000000  0.2342301900000000  0.2294621600000000   0.3097825400000000  0.2657698100000000  0.7294621600000000   0.6902174599999999  0.7657698100000000  0.7705378400000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 313.407900     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