[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
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