# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/9365af77-e0a5-4ce9-8764-3e032b1827a8/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 Dy3Sb4Au3 / I-43d (220) / materials id 984350](https://mdr.nims.go.jp/datasets/a3142ae3-132c-4617-972a-2cc6018196bc)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  12</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>Sb</c><c>    121.75000000</c><c>      5.00000000</c><c>  PAW_PBE Sb 06Sep2000                  </c></rc>    <rc><c>  12</c><c>Au</c><c>    196.96600000</c><c>     11.00000000</c><c>  PAW_PBE Au 04Oct2007                  </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 298.925900     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 Dy Sb Au   1.0     9.7706935099999992    0.0000000000000000    0.0000000000000000     0.0000000000000000    9.7706935099999992    0.0000000000000000     0.0000000000000000    0.0000000000000000    9.7706935099999992 Dy Sb Au  12  16  12Direct   0.2500000000000000  0.6250000000000000  0.5000000000000000   0.2500000000000000  0.3750000000000000  0.0000000000000000   0.5000000000000000  0.2500000000000000  0.6250000000000000   0.8750000000000000  0.5000000000000000  0.7500000000000000   0.5000000000000000  0.7500000000000000  0.8750000000000000   0.1250000000000000  0.0000000000000000  0.7500000000000000   0.7500000000000000  0.1250000000000000  0.0000000000000000   0.7500000000000000  0.8750000000000000  0.5000000000000000   0.0000000000000000  0.7500000000000000  0.1250000000000000   0.3750000000000000  0.0000000000000000  0.2500000000000000   0.0000000000000000  0.2500000000000000  0.3750000000000000   0.6250000000000000  0.5000000000000000  0.2500000000000000   0.5892273400000000  0.4107726600000000  0.9107726600000000   0.0892273400000000  0.0892273400000000  0.0892273400000000   0.9107726600000000  0.4107726600000000  0.0892273400000000   0.4107726600000000  0.0892273400000000  0.9107726600000000   0.8392273400000000  0.1607726600000000  0.6607726600000000   0.3392273400000000  0.3392273400000000  0.3392273400000000   0.1607726600000000  0.3392273400000000  0.6607726600000000   0.6607726600000000  0.1607726600000000  0.3392273400000000   0.0892273400000000  0.9107726600000000  0.4107726600000000   0.5892273400000000  0.5892273400000000  0.5892273400000000   0.4107726600000000  0.9107726600000000  0.5892273400000000   0.9107726600000000  0.5892273400000000  0.4107726600000000   0.3392273400000000  0.6607726600000000  0.1607726600000000   0.8392273400000000  0.8392273400000000  0.8392273400000000   0.6607726600000000  0.8392273400000000  0.1607726600000000   0.1607726600000000  0.6607726600000000  0.8392273400000000   0.2500000000000000  0.1250000000000000  0.5000000000000000   0.2500000000000000  0.8750000000000000  0.0000000000000000   0.0000000000000000  0.7500000000000000  0.6250000000000000   0.3750000000000000  0.5000000000000000  0.7500000000000000   0.0000000000000000  0.2500000000000000  0.8750000000000000   0.6250000000000000  0.0000000000000000  0.7500000000000000   0.7500000000000000  0.6250000000000000  0.0000000000000000   0.7500000000000000  0.3750000000000000  0.5000000000000000   0.5000000000000000  0.2500000000000000  0.1250000000000000   0.8750000000000000  0.0000000000000000  0.2500000000000000   0.5000000000000000  0.7500000000000000  0.3750000000000000   0.1250000000000000  0.5000000000000000  0.2500000000000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 298.925900     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     2 0.000 0.000 0.000