# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/bf2c96df-d62e-4e8e-b804-ed038b5e737c/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 GeAs / C2/m (12) / materials id 9548](https://mdr.nims.go.jp/datasets/1ac89065-b22d-4536-a5ed-2f3d3995eb94)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     2     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  72</c><c>Ge</c><c>     72.61000000</c><c>     14.00000000</c><c>  PAW_PBE Ge_d 03Jul2007                </c></rc>    <rc><c>  72</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 = 403.382200     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 Ge As   1.0    14.8835470799999996    0.0000000000000000    0.7186563300000000     0.0000000000000000    3.8466227800000001    0.0000000000000000    -1.8384206599999999    0.0000000000000000    9.2107587500000001 Ge As  12  12Direct   0.7509733700000000  0.5000000000000000  0.2144928700000000   0.7490266300000000  0.0000000000000000  0.7855071300000001   0.8769369300000001  0.5000000000000000  0.0738602000000000   0.6230630699999999  0.0000000000000000  0.9261398000000000   0.9300660600000000  0.0000000000000000  0.4111787700000000   0.5699339400000001  0.5000000000000000  0.5888212300000000   0.2509733700000000  0.0000000000000000  0.2144928700000000   0.2490266300000000  0.5000000000000000  0.7855071300000001   0.3769369300000000  0.0000000000000000  0.0738602000000000   0.1230630700000000  0.5000000000000000  0.9261398000000000   0.4300660600000000  0.5000000000000000  0.4111787700000000   0.0699339400000000  0.0000000000000000  0.5888212300000000   0.6458565600000000  0.0000000000000000  0.1903262600000000   0.8541434400000000  0.5000000000000000  0.8096737400000000   0.9737273600000000  0.0000000000000000  0.1635599900000000   0.5262726400000000  0.5000000000000000  0.8364400100000000   0.8338403100000000  0.5000000000000000  0.4605829900000000   0.6661596900000000  0.0000000000000000  0.5394170100000000   0.1458565600000000  0.5000000000000000  0.1903262600000000   0.3541434400000000  0.0000000000000000  0.8096737400000000   0.4737273600000000  0.5000000000000000  0.1635599900000000   0.0262726400000000  0.0000000000000000  0.8364400100000000   0.3338403100000000  0.0000000000000000  0.4605829900000000   0.1661596900000000  0.5000000000000000  0.5394170100000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 403.382200     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     5     2 0.000 0.000 0.000