[Wien] big system stop at lapw0

wangguo wangguottkl at eyou.com
Sun Nov 30 03:45:28 CET 2003


Dear,
I have a big system.The number of inequivalent atoms is 61 and its space group
is p21/c.So the total number of atoms is 61*4=244.

When I do the SCF,it stops with:
FORTRAN STOP  LAPW0 END
Allocate error 494: Allocation of Array with extent of 31720000 failed
End of diagnostics

What can I do?

Thanks
Guo Wang





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