[Wien] ploting potential

Mohamad Monazam monazam at yahoo.com
Mon Oct 24 17:46:51 CEST 2011


Hi All,

Is it possile to plot only specific lm decomposed part of potential in wien2k(from file case.vtotal). for example, only l=1 part of the potential. I would like to see how is the band offset of my semiconductor structure by looking at the average potential in one direction.
I know that it is possile for full potential to calculate in grid and plot in any prefered plane by LAPW5 and rhoplot scripts. But this is full potential and deep in atomic positions than approximated Pseudopotential methods.
Thanks alot in advance.

best,
Mohammad
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20111024/45d2ee32/attachment.htm>


More information about the Wien mailing list