# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/2377c86a-a5d1-408f-9006-8f9bcee33618/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 Li7VN4 / P-43n (218) / materials id 4825](https://mdr.nims.go.jp/datasets/d2a83b84-0998-433f-a04a-77ef4e6bc0f7)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  56</c><c>Li</c><c>      7.01000000</c><c>      3.00000000</c><c>  PAW_PBE Li_sv 10Sep2004               </c></rc>    <rc><c>  32</c><c>N </c><c>     14.00100000</c><c>      5.00000000</c><c>  PAW_PBE N 08Apr2002                   </c></rc>    <rc><c>   8</c><c>V </c><c>     50.94100000</c><c>     11.00000000</c><c>  PAW_PBE V_pv 07Sep2000                </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 648.744200     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 Li N V   1.0     9.5091497399999998    0.0000000000000000    0.0000000000000000     0.0000000000000000    9.5091497399999998    0.0000000000000000     0.0000000000000000    0.0000000000000000    9.5091497399999998 Li N V  56  32   8Direct   0.5157045800000000  0.7367358700000000  0.7504366099999999   0.5157045800000000  0.2632641300000000  0.2495633900000000   0.7367358700000000  0.7504366099999999  0.5157045800000000   0.2632641300000000  0.7504366099999999  0.4842954200000000   0.7504366099999999  0.5157045800000000  0.7367358700000000   0.2495633900000000  0.4842954200000000  0.7367358700000000   0.9842954200000000  0.7495633900000001  0.2367358700000000   0.9842954200000000  0.2504366100000000  0.7632641300000000   0.0157045800000000  0.7495633900000001  0.7632641300000000   0.2504366100000000  0.7632641300000000  0.9842954200000000   0.7632641300000000  0.0157045800000000  0.7495633900000001   0.7632641300000000  0.9842954200000000  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0.5000000000000000  0.0000000000000000   0.5000000000000000  0.5000000000000000  0.5000000000000000   0.0000000000000000  0.0000000000000000  0.0000000000000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 648.744200     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