[Wien] A quick question about the force convergence (Laurence Marks)

Hu, Wenhao wenhao-hu at uiowa.edu
Mon Jan 27 04:01:16 CET 2014


Dear professor Laurence:

Thank you for your reply. I used MSR1a mode in my calculation. BTW, I didn't know that there's a difference in the force convergence between  PORT and MSR1a. If possible, could you tell me about it as well?

Best regards,

Wenhao
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20140127/6c44cd74/attachment.htm>


More information about the Wien mailing list