# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/2bb5e5a4-5fd4-4f06-b62b-78d51a031a91/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 YbBaCdSb2 / Cmc2_1 (36) / materials id 865143](https://mdr.nims.go.jp/datasets/e3d1c21c-a4ab-4214-8879-70ef68ea5b25)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     1     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  24</c><c>Yb</c><c>    173.04000000</c><c>      8.00000000</c><c>  PAW_PBE Yb_2 06Sep2000                </c></rc>    <rc><c>  24</c><c>Ba</c><c>    137.32700000</c><c>     10.00000000</c><c>  PAW_PBE Ba_sv 06Sep2000               </c></rc>    <rc><c>  24</c><c>Cd</c><c>    112.41100000</c><c>     12.00000000</c><c>  PAW_PBE Cd 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 = 356.636800     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 Yb Ba Cd Sb   1.0     4.7297241999999997    0.0000000000000000    0.0000000000000000     0.0000000000000000   18.3866559100000018    0.0000000000000000     0.0000000000000000    0.0000000000000000    7.2512231399999996 Yb Ba Cd Sb   4   4   4   8Direct   0.0000000000000000  0.4834268300000000  0.2255599600000000   0.5000000000000000  0.0165731700000000  0.7255599600000000   0.5000000000000000  0.9834268300000000  0.2255599600000000   0.0000000000000000  0.5165731700000000  0.7255599600000000   0.0000000000000000  0.3012423300000000  0.5247671000000000   0.5000000000000000  0.1987576700000000  0.0247671000000000   0.5000000000000000  0.8012423300000000  0.5247671000000000   0.0000000000000000  0.6987576700000000  0.0247671000000000   0.5000000000000000  0.4075173200000000  0.8944240600000000   0.0000000000000000  0.0924826800000000  0.3944240600000000   0.0000000000000000  0.9075173200000000  0.8944240600000000   0.5000000000000000  0.5924826800000000  0.3944240600000000   0.5000000000000000  0.4399473000000000  0.4996908100000000   0.0000000000000000  0.3358533500000000  0.0114190500000000   0.5000000000000000  0.1641466500000000  0.5114190500000000   0.0000000000000000  0.0600527000000000  0.9996908100000000   0.0000000000000000  0.9399473000000000  0.4996908100000000   0.5000000000000000  0.8358533500000001  0.0114190500000000   0.0000000000000000  0.6641466499999999  0.5114190500000000   0.5000000000000000  0.5600527000000000  0.9996908100000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 356.636800     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     4     1     3 0.000 0.000 0.000