local density of states
"Dietmar Graf" <[email protected]>
| Newsgroups | gmane.comp.science.photonic-bands |
|---|---|
| Message-ID | <[email protected]> |
Dear Steven and MPB users, i want to calculate the local density of states of a 3D fcc-pc therefore i need exact coordinates in real space. MPB calculation is already done. Doing "mpb-data -r -n 32 -m 1 epsilon.h5" and opening the converted data into VisIt it looks like the centre of any sphere is not in the centre of the displayed box but i am not sure. The grid/origin of coordinate system in real space generated by MPB is arbitrary choosen?! Is it possible to set the point of origin into the centre of a sphere? I don't think so because the crystal structure is generated by these lines: (set! geometry-lattice (make lattice (basis-size (sqrt 0.5) (sqrt 0.5) (sqrt 0.5)) (basis1 0 1 1) (basis2 1 0 1) (basis3 1 1 0))) and there is nothing that specifies an origin? Kind regards, Sven Zimmermann University Leipzig Germany -- Psst! Geheimtipp: Online Games kostenlos spielen bei den GMX Free Games! http://games.entertainment.gmx.net/de/entertainment/games/free