TOO MANY ENTRIES IN RECORD ...
vogel at int.fzk.de
Wed Jan 14 13:46:41 GMT 2004
I have problems calculating more than 25 states in
one MCSCF-calculation. The Molpro 2002.6 terminates
?ERROR IN WRITE_DUMP: TOO MANY ENTRIES IN RECORD 2140.2 WHEN WRITING
The problem here is that I can not calculate less states in one MC-SCF
because of symmetry-contaminations. Here is the MCSCF-card of the
The calculation works if I only calculate 3 states in each symmetry, but I
Please tell me if you know how to solve this problem even if I have to compile
the program on my own!
More information about the Molpro-user