# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/1dc7d0b7-7dff-4f22-a971-f9c917117e8c/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 V2Se9 / C2/c (15) / materials id 28256](https://mdr.nims.go.jp/datasets/70df3e78-9268-4991-a7f4-ecd64f91eeb6)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  16</c><c>V </c><c>     50.94100000</c><c>     11.00000000</c><c>  PAW_PBE V_pv 07Sep2000                </c></rc>    <rc><c>  72</c><c>Se</c><c>     78.96000000</c><c>      6.00000000</c><c>  PAW_PBE Se 06Sep2000                  </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 342.774900     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 V Se   1.0    10.4771616900000009    0.0000000000000000    0.3472054500000000     0.0000000000000000   12.4710081299999995    0.0000000000000000    -1.1128110099999999    0.0000000000000000    7.9314277100000004 V Se   8  36Direct   0.3684960500000000  0.2309440700000000  0.0834202000000000   0.6315039499999999  0.2309440700000000  0.4165798000000000   0.6315039499999999  0.7690559299999999  0.9165798000000001   0.3684960500000000  0.7690559299999999  0.5834201999999999   0.8684960500000000  0.7309440700000001  0.0834202000000000   0.1315039500000000  0.7309440700000001  0.4165798000000000   0.1315039500000000  0.2690559300000000  0.9165798000000001   0.8684960500000000  0.2690559300000000  0.5834201999999999   0.4461427300000000  0.1471842900000000  0.5454553300000000   0.5538572700000000  0.1471842900000000  0.9545446700000000   0.6007747299999999  0.6934554200000000  0.6123608100000000   0.3992252700000000  0.6934554200000000  0.8876391900000000   0.3992252700000000  0.3065445800000000  0.3876391900000000   0.6007747299999999  0.3065445800000000  0.1123608100000000   0.7654739699999999  0.0851684400000000  0.5592160200000000   0.2345260300000000  0.0851684400000000  0.9407839800000000   0.2345260300000000  0.9148315600000000  0.4407839800000000   0.7654739699999999  0.9148315600000000  0.0592160200000000   0.8363132200000000  0.1593910300000000  0.3215788700000000   0.1636867800000000  0.1593910300000000  0.1784211300000000   0.1636867800000000  0.8406089700000000  0.6784211300000000   0.8363132200000000  0.8406089700000000  0.8215788700000000   0.4461427300000000  0.8528157100000000  0.0454553300000000   0.5538572700000000  0.8528157100000000  0.4545446700000000   0.5000000000000000  0.0845535600000000  0.2500000000000000   0.5000000000000000  0.9154464400000000  0.7500000000000000   0.9461427300000000  0.6471842900000000  0.5454553300000000   0.0538572700000000  0.6471842900000000  0.9545446700000000   0.1007747300000000  0.1934554200000000  0.6123608100000000   0.8992252700000000  0.1934554200000000  0.8876391900000000   0.8992252700000000  0.8065445800000000  0.3876391900000000   0.1007747300000000  0.8065445800000000  0.1123608100000000   0.2654739700000000  0.5851684400000000  0.5592160200000000   0.7345260300000001  0.5851684400000000  0.9407839800000000   0.7345260300000001  0.4148315600000000  0.4407839800000000   0.2654739700000000  0.4148315600000000  0.0592160200000000   0.3363132200000000  0.6593910300000000  0.3215788700000000   0.6636867799999999  0.6593910300000000  0.1784211300000000   0.6636867799999999  0.3406089700000000  0.6784211300000000   0.3363132200000000  0.3406089700000000  0.8215788700000000   0.9461427300000000  0.3528157100000000  0.0454553300000000   0.0538572700000000  0.3528157100000000  0.4545446700000000   0.0000000000000000  0.5845535600000000  0.2500000000000000   0.0000000000000000  0.4154464400000000  0.7500000000000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 342.774900     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     1     2 0.000 0.000 0.000