[molpro-user] unreasonable norm in ccsd calculation reg
Rajagopala Reddy seelam
srgreddyseelam at yahoo.co.in
Tue Sep 28 10:25:25 BST 2010
Dear molpro dealers and users,
I am facing a problem regarding
unreasonable norm in ccsd calculation. I am using Molpro 2002.6 to do
this. I found one query regarding the same in molpro-users mail archive
and there it was suggested that using shifts=value will work. I used it
but no success. Can any one of you please help.
Thank you,
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