[molpro-user] Mallika Khare (Requesting for help in removing Molpro rhfpro error)
mkhare at mtu.edu
Tue Sep 1 18:44:17 BST 2015
I am Mallika Khare, grad student in Michigan Tech.
I am writing to humbly ask that I am trying to run a Molpro frequency
calculation with following input:
But, I m getting an error which says :
? No convergence
? The problem occurs in rhfpro
I would be very thankful, if you can help me to remove this error.
I am new to this suite and I really need help in this case, since I am
Waiting for your response!
Many Thanks and Regards
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