# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/b77b1139-9579-4f86-88ef-9dfb97763352/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 AgNO2 / Imm2 (44) / materials id 5770](https://mdr.nims.go.jp/datasets/5a0b2873-bd90-4cdb-bea0-f05cb4258a96)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     1 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     6     3     4 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  36</c><c>N </c><c>     14.00100000</c><c>      5.00000000</c><c>  PAW_PBE N 08Apr2002                   </c></rc>    <rc><c>  72</c><c>O </c><c>     16.00000000</c><c>      6.00000000</c><c>  PAW_PBE O 08Apr2002                   </c></rc>    <rc><c>  36</c><c>Ag</c><c>    107.86800000</c><c>     17.00000000</c><c>  PAW_PBE Ag_pv 09Dec2005               </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 O Ag   1.0     3.2918783299999999    0.0000000000000000    0.0000000000000000     0.0000000000000000    6.4164678799999999    0.0000000000000000     0.0000000000000000    0.0000000000000000    4.9969270100000003 N O Ag   2   4   2Direct   0.5000000000000000  0.5000000000000000  0.1095444300000000   0.0000000000000000  0.0000000000000000  0.6095444300000000   0.5000000000000000  0.6654353800000000  0.9730617300000000   0.5000000000000000  0.3345646200000000  0.9730617300000000   0.0000000000000000  0.1654353800000000  0.4730617300000000   0.0000000000000000  0.8345646200000000  0.4730617300000000   0.5000000000000000  0.5000000000000000  0.5443321400000001   0.0000000000000000  0.0000000000000000  0.0443321400000000vasp-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     5     3     4 0.000 0.000 0.000