# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/48e1e9f1-5822-4da0-a941-603ff27fd698/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 NaSi / C2/c (15) / materials id 2402](https://mdr.nims.go.jp/datasets/79197629-8897-44ea-a014-4913d4e802fa)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     1 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>  64</c><c>Si</c><c>     28.08500000</c><c>      4.00000000</c><c>  PAW_PBE Si 05Jan2001                  </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 337.429300     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/POSCAR-unitcell Na Si   1.0    11.9297311100000005    0.0000000000000000    0.1299121400000000     0.0000000000000000    6.3847708100000000    0.0000000000000000    -5.1242801000000000    0.0000000000000000    9.6474436099999998 Na Si  16  16Direct   0.6365026600000000  0.9091302600000000  0.4521653300000000   0.3634973400000000  0.9091302600000000  0.0478346700000000   0.3634973400000000  0.0908697400000000  0.5478346700000001   0.6365026600000000  0.0908697400000000  0.9521653300000000   0.1445124800000000  0.1756798800000000  0.1442437600000000   0.3554875200000000  0.6756798800000000  0.3557562400000000   0.8554875200000001  0.8243201200000000  0.8557562400000001   0.6445124799999999  0.3243201200000000  0.6442437599999999   0.1365026600000000  0.4091302600000000  0.4521653300000000   0.8634973400000000  0.4091302600000000  0.0478346700000000   0.8634973400000000  0.5908697400000000  0.5478346700000001   0.1365026600000000  0.5908697400000000  0.9521653300000000   0.6445124799999999  0.6756798800000000  0.1442437600000000   0.8554875200000001  0.1756798800000000  0.3557562400000000   0.3554875200000000  0.3243201200000000  0.8557562400000001   0.1445124800000000  0.8243201200000000  0.6442437599999999   0.4042925200000000  0.4530984800000000  0.1411543600000000   0.5957074800000000  0.4530984800000000  0.3588456400000000   0.5957074800000000  0.5469015200000000  0.8588456400000000   0.4042925200000000  0.5469015200000000  0.6411543600000000   0.4339984100000000  0.1941794000000000  0.3110307700000000   0.5660015899999999  0.1941794000000000  0.1889692300000000   0.5660015899999999  0.8058206000000000  0.6889692300000000   0.4339984100000000  0.8058206000000000  0.8110307700000000   0.9042925200000000  0.9530984800000000  0.1411543600000000   0.0957074800000000  0.9530984800000000  0.3588456400000000   0.0957074800000000  0.0469015200000000  0.8588456400000000   0.9042925200000000  0.0469015200000000  0.6411543600000000   0.9339984100000001  0.6941794000000000  0.3110307700000000   0.0660015900000000  0.6941794000000000  0.1889692300000000   0.0660015900000000  0.3058206000000000  0.6889692300000000   0.9339984100000001  0.3058206000000000  0.8110307700000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 337.429300     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     2 0.000 0.000 0.000