Vyacheslav
kreme_vg@chemy.kolasc.net.ru
-------------------------- ----------------------------------------------
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!
This message contains the 1 kb attachment [ Na+_MP2.inp ] |