[Octopus-users] Homo-Lumo gap
juzar18 at gmail.com
Mon May 31 12:37:08 WEST 2010
Please could someone explain how to obtain the Homo-Lumo gap from the TDDFT
calculations? This can be done via the Casida calculation but is there a way
of obtaining the HOMO-LUMO only from the TDDFT run?
Center for Computation Science and Engineering
National University of Singapore
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the Octopus-users