[Pw_forum] On error while calculating complex band structure of silicon

Raj Pandey rajanpnano at gmail.com
Sun Sep 14 06:00:31 CEST 2008


Dear Manoj,

Thanks for your reply. But I am sorry, I did not quite get you.
I am able to compute real band structure of Si from the input of
example05. Similar to bands.x (which gives real band structure), pwcond.x is

a post-processor (gives complex band structure). Therefore the question is
that
if I can get the real band structure then why can't the complex band
structure for the same unit cell?
Perhaps, something is wrong with my input file for complex band which I
can't figure out!

Thanks,

Rajan
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20080914/d1a7d034/attachment.htm 


More information about the Pw_forum mailing list