# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/ae461bd7-8c9f-475f-a864-95bbf7351fce/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 CoP2 / P2_1/c (14) / materials id 14285](https://mdr.nims.go.jp/datasets/1fb552c3-0246-410b-8223-98b8758a07dc)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     2     2 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     4     4     4 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  96</c><c>P </c><c>     30.97400000</c><c>      5.00000000</c><c>  PAW_PBE P 06Sep2000                   </c></rc>    <rc><c>  48</c><c>Co</c><c>     58.93300000</c><c>      9.00000000</c><c>  PAW_PBE Co 02Aug2007                  </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 348.358400     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 = 348.358400     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 P Co   1.0     5.4737461200000004    0.0000000000000000   -0.0103458100000000     0.0000000000000000    5.4820106099999997    0.0000000000000000    -2.3042868400000001    0.0000000000000000    5.0525815600000001 P Co   8   4Direct   0.1571476000000000  0.8714303100000000  0.8705315900000000   0.8428523999999999  0.3714303100000000  0.6294684100000000   0.8428523999999999  0.1285696900000000  0.1294684100000000   0.1571476000000000  0.6285696900000000  0.3705315900000000   0.3396074100000000  0.3703582100000000  0.1834237100000000   0.6603925900000001  0.8703582100000000  0.3165762900000000   0.6603925900000001  0.6296417900000000  0.8165762900000000   0.3396074100000000  0.1296417900000000  0.6834237100000000   0.2721578400000000  0.4989466500000000  0.7898492300000000   0.7278421600000000  0.9989466500000000  0.7101507700000000   0.7278421600000000  0.5010533500000001  0.2101507700000000   0.2721578400000000  0.0010533500000000  0.2898492300000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 348.358400     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     4     4     4 0.000 0.000 0.000