[Pw_forum] Regarding how to get isosurafces of frontier orbitals
zero.whoami at gmail.com
Fri Apr 1 06:38:00 CEST 2011
Dear PWScf users,
I am trying to get Isosurfaces of the HOMO, LUMO and LUMO+n (n=integer)
states for a system having an organic dye which is adsorbed on TiO2 (101)
Please some one let me know, is it possible to get the above mentioned
Isosurfaces by employing PWScf code, if possible, please provide relavant
information, to get it.
Thank You in advance.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the users