# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/218f4753-8507-40aa-bc91-057809de3783/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 LiAgF2 / C2 (5) / materials id 752767](https://mdr.nims.go.jp/datasets/f40e7ed4-195a-4c8c-ad6a-a5a9b509b37a)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     4     7     3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  32</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>Ag</c><c>    107.86800000</c><c>     17.00000000</c><c>  PAW_PBE Ag_pv 09Dec2005               </c></rc>    <rc><c>  64</c><c>F </c><c>     18.99800000</c><c>      7.00000000</c><c>  PAW_PBE F 08Apr2002                   </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/INCAR-nac      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.  LEPSILON = .TRUE.vasp-settings/POSCAR-unitcell Li Ag F   1.0     5.1043767400000002    0.0000000000000000    0.0309857800000000     0.0000000000000000    2.9471300800000000    0.0000000000000000    -1.6058402300000001    0.0000000000000000    6.2014412200000004 Li Ag F   2   2   4Direct   0.5000000000000000  0.0067167000000000  0.5000000000000000   0.0000000000000000  0.5067167000000000  0.5000000000000000   0.5000000000000000  0.5066368400000000  0.0000000000000000   0.0000000000000000  0.0066368400000000  0.0000000000000000   0.8855065000000000  0.0067164000000000  0.6703550400000000   0.1144935000000000  0.0067164000000000  0.3296449600000000   0.3855065000000000  0.5067164000000000  0.6703550400000000   0.6144935000000000  0.5067164000000000  0.3296449600000000vasp-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     4     7     3 0.000 0.000 0.000