Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
Re: Unusual error in MECI optimization
Antonio Carlos Borin
Instead of using wstate(1)=0,0,1,1, as suggested in the thread, I´ve added the keyword multiw=.t. to $mcaver (now it is: $mcaver jstate=4 conic=2 target=pure multiw=.t. $end)
It is working even with wstate(1)=1,1,1,1. Is it another way to solve the problem, or it is necessary to use 2 states only (wstate(1)=0,0,1,1)?
Fri Aug 1 '14 4:47pm
This message read 588 times