# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/a6974e95-33f1-4231-8194-1689383388c2/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 Na2AgSb / Cmcm (63) / materials id 7392](https://mdr.nims.go.jp/datasets/ae083fdf-e168-4e01-8548-67eb6bcaa399)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     1     2 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     2     3     3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  64</c><c>Na</c><c>     22.99000000</c><c>      7.00000000</c><c>  PAW_PBE Na_pv 19Sep2006               </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>  32</c><c>Sb</c><c>    121.75000000</c><c>      5.00000000</c><c>  PAW_PBE Sb 06Sep2000                  </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 387.224500     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 = 387.224500     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 Na Ag Sb   1.0     9.1676895100000007    0.0000000000000000    0.0000000000000000     0.0000000000000000    7.7133771800000002    0.0000000000000000     0.0000000000000000    0.0000000000000000    5.7493539900000004 Na Ag Sb   8   4   4Direct   0.3215775000000000  0.6521297200000000  0.7500000000000000   0.6784224999999999  0.3478702800000000  0.2500000000000000   0.6784224999999999  0.6521297200000000  0.7500000000000000   0.3215775000000000  0.3478702800000000  0.2500000000000000   0.8215775000000000  0.1521297200000000  0.7500000000000000   0.1784225000000000  0.8478702800000000  0.2500000000000000   0.1784225000000000  0.1521297200000000  0.7500000000000000   0.8215775000000000  0.8478702800000000  0.2500000000000000   0.0000000000000000  0.5000000000000000  0.0000000000000000   0.0000000000000000  0.5000000000000000  0.5000000000000000   0.5000000000000000  0.0000000000000000  0.0000000000000000   0.5000000000000000  0.0000000000000000  0.5000000000000000   0.0000000000000000  0.7937830800000000  0.7500000000000000   0.0000000000000000  0.2062169200000000  0.2500000000000000   0.5000000000000000  0.2937830800000000  0.7500000000000000   0.5000000000000000  0.7062169200000000  0.2500000000000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 387.224500     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     3     3 0.000 0.000 0.000