>Please provide your input file for diagnostic (without coordinates/ECP, if you would prefer).
>PS: this list is dedicated to Firefly, not Gamess(US). Although a large part of Gamess US capabilities/syntax is included in Firefly, you may have more chances of getting a correct answer in the Gamess list.
>>1) I'm using GAMESS VERSION = 24 MAR 2007 (R6) for Windows and GAMESS VERSION = 12 JAN 2009 (R3) for Linux.
>>2) I have already solved this problem, but ...
>>3) I have a new problem with CI calculations: with using ECP basis set for neutral molecule I get a message, for example:
>> *** ERROR *** INCONSISTENT CHARGE/MULTIPLICITY
>> $CONTRL GAVE ICHARG= 0 MULT= 1
>> $DRT IMPLIES ICHARG= -38 MULT= 1
>>I know, that this �related to the replacement the 38 inner electrons by pseudopotential, by I can't understand whether it's possible to make CI calculations with ECP basis set.
>>Could you explain how to solve this problem?
>>Thanks for your help,