[Wien] nmatmax and nume parameters

Konstantin Nefedev nefedev at gate.sinica.edu.tw
Sat Aug 4 17:53:16 CEST 2007


Dear All,

I wish calculate large super cells for 62-Pnma structure LaSrMnO3,

What is maximal number of atoms I can calculate?
 if
NMATMAX=   12000
NUME=   500

Best Regards,
Konstantin
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