Firefly and PC GAMESS-related discussion club

Learn how to ask questions correctly  
We are NATO-free zone

from Small to Large Basis set


Dear Alex,

My job converges at basis with SVP basis set,
but it is failing to converge with SVPD basis set
(SVPD = the same SVP part + diffuse basis).
How could I use MO generated in SVP job for SVPD job?

What could you suggest for convergence in case of diffuse basis.

Thank you in advance,

[ Previous ] [ Next ] [ Index ]           Sat Nov 10 '12 3:40pm
[ Reply ] [ Edit ] [ Delete ]           This message read 1813 times