[Pw_forum] cg in molecular dynamics
Mansoureh Pashangpour
mansourehp at gmail.com
Thu Aug 28 07:32:18 CEST 2008
Dear all
I am performing a MD simulation with QE for a strongly correlated
system with 90 atoms.when I test this system with 10 atoms It
works fast but for 90 atoms it works slowly.how can I increase its speed?
how can I leave this message:
cg_sub: missed minimum, case 1, iteration 21
Thanks in advance for your help and attention
good luck
Mansoureh Pashangpour
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20080828/9676d095/attachment.html>
More information about the users
mailing list