[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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