[Pw_forum] LDA pseudo for F

Juan Manuel Lopez juanlopez415 at gmail.com
Tue Jun 9 22:32:45 CEST 2009


Dear PWSCF users,

Some body can help me about to make a good input (scf.in) for a supercell
with around 100 atoms, including Cobalt and Organic molecules.  Because I
try with the example input, but does not converge.

-- 
Best regards,
--------------------------------------
Juan M. Lopez Encarnacion
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20090609/f93f6437/attachment.html>


More information about the users mailing list