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#1 2016-04-20 16:45:55
- abid
- Member
- Registered: 2015-11-12
- Posts: 41
Problem in SCF/uhf convergence
Hi all
I am working on a radical for which I was trying uhf which converge for lower basis set(aug-cc-pvdz on some atoms and pvtz on other) but when I applied aug-cc-pvtz to all atoms it does not converge?
Can anyone suggest some solution?
Thanks
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#2 2016-07-10 04:27:26
- Fancy
- Member
- From: Beijng.China
- Registered: 2016-07-09
- Posts: 15
Re: Problem in SCF/uhf convergence
Did you solve the problem? I had the same problem 
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