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Strange problem with calculation on MP2 level

Vyacheslav
kreme_vg@chemy.kolasc.net.ru


Hi,
when I try to calculate energy of such cations as Na+, K+, Cs+ on МР2 level (see attached input file for example) I receive at the end of out files the next message:

--------------------------   ----------------------------------------------
RHF-MP2 ENERGY CALCULATION   PROGRAM WRITTEN BY M.DUPUIS,C.DANIEL,A.MARQUEZ
--------------------------   ----------------------------------------------
NCORE=   5     NOCC=    5     NAOS=   29
*ERR* KO-04 integer divide by zero

The same inputs with simple RHF or DFT instead of MP2 level have no any problems. What does it mean?
Thanks in advance!

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[ Na+_MP2.inp ]


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