do CI in gamess
Dear Sir:
I am a graduate student.I am using GAMESS program now.
But now I encounter a problem.I am doing a full CI calculation
of N2 with 6-31G basis.I freeze the 1S electrons.Then the
active space is (16,10).When I am runing the program,it die
after integral sorting completed.Befere it was dead, it was writing a file that
exceed 2GB.I guess that it is because
the file is too large(>2GB)that leads to the dead of the program.
How can I handle this problem?
thank you very much
chenhui
dept chemistry Nanjing university
P.R.China
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