[Pw_forum] Paramagnetic system computation

[Евгений Пермяков]

Hello!
I'm going to perform series of calculations with paramagnetic system with
unknown magnetism. I desperately need to keep calculation time in
reasonable limits. One k-point is okay, but I probably need to take into
consideration spin-orbital interactions (I have heavy metal atoms in the
system). The system is highly inhomogeneous, with metallic zone so I have
to use low beta and force degauss.

What PW-options I have to use and how to keep calculation time reasonable?
May be I can read some exhaustive tutorial? Tutorials I found are very
brief.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20130604/9609b2eb/attachment.html>