# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/e2aa3432-8ecc-4c16-aa3a-ed2ec377f42f/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 N2 / P2_13 (198) / materials id 154](https://mdr.nims.go.jp/datasets/6cb9cf1a-f4e0-4056-abec-13df4078fe72)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     3     3     3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  64</c><c>N </c><c>     14.00100000</c><c>      5.00000000</c><c>  PAW_PBE N 08Apr2002                   </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 520.000000     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 = 520.000000     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 N   1.0     5.7863128899999996    0.0000000000000000    0.0000000000000000     0.0000000000000000    5.7863128899999996    0.0000000000000000     0.0000000000000000    0.0000000000000000    5.7863128899999996 N   8Direct   0.0555044700000000  0.0555044700000000  0.0555044700000000   0.4444955300000000  0.9444955300000000  0.5555044700000000   0.5555044700000000  0.4444955300000000  0.9444955300000000   0.9444955300000000  0.5555044700000000  0.4444955300000000   0.9446136700000000  0.9446136700000000  0.9446136700000000   0.5553863299999999  0.0553863300000000  0.4446136700000000   0.4446136700000000  0.5553863299999999  0.0553863300000000   0.0553863300000000  0.4446136700000000  0.5553863299999999vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 520.000000     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     3     3     3 0.000 0.000 0.000