# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/16e040b8-905a-437b-9542-7a7df8d32253/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 GaTe / P6_3/mmc (194) / materials id 10009](https://mdr.nims.go.jp/datasets/d2b80e4a-adcc-42ae-a641-ef7609c045a4)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     1     1 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     6     6     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  64</c><c>Ga</c><c>     69.72300000</c><c>     13.00000000</c><c>  PAW_PBE Ga_d 06Jul2010                </c></rc>    <rc><c>  64</c><c>Te</c><c>    127.60000000</c><c>      6.00000000</c><c>  PAW_PBE Te 08Apr2002                  </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 367.498300     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/INCAR-nac      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 367.498300     EDIFF = 1.000000e-08    ISMEAR = 0     SIGMA = 1.000000e-02     IALGO = 38     LREAL = .FALSE.   ADDGRID = .TRUE.     LWAVE = .FALSE.    LCHARG = .FALSE.  LEPSILON = .TRUE.vasp-settings/POSCAR-unitcell Ga Te   1.0     4.0562297100000002    0.0000000000000000    0.0000000000000000    -2.0281148500000001    3.5127979699999998    0.0000000000000000     0.0000000000000000    0.0000000000000000   17.0132762200000016 Ga Te   4   4Direct   0.3333333300000000  0.6666666700000000  0.1787806100000000   0.6666666700000000  0.3333333300000000  0.6787806100000000   0.6666666700000000  0.3333333300000000  0.8212193900000000   0.3333333300000000  0.6666666700000000  0.3212193900000000   0.3333333300000000  0.6666666700000000  0.8959001100000000   0.6666666700000000  0.3333333300000000  0.3959001100000000   0.6666666700000000  0.3333333300000000  0.1040998900000000   0.3333333300000000  0.6666666700000000  0.6040998900000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 367.498300     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     6     6     1 0.000 0.000 0.000