[Wien] Allocate error 494:

Fri Dec 5 08:45:55 CET 2003

Dear all:
        I'm dealing with a big system (118 total atoms, 50 inequivalent atoms), all went well with initialization, while for the SCF calculation, it stops at the first lapw1 -c and  the file Lapw.e1321 contains the following information:
FORTRAN STOP   LAPW0 END 
Allocate error 494: Allocation of Array with extent of 92736900 failed
End of diagnostics
        What does this mean? should I increase the NMATMAX(10000, personally I think it is large enough for my system)? Any comment is welcome.
 Best regards


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