| 1:19:46 PM PDT - Wed, Jul 29th 2015 |
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Dear Sebastian,
I have just discovered that the CDFT implementation had a pretty problematic bug since version 6.3.
I have found the fix for it, and the patch for 6.5 is available at
http://nwchemgit.github.io/images/Cdft.patch.gz
I have modified your input file slightly and he modified file that will allow you to converge is available at
http://nwchemgit.github.io/images/Rubrene_cdft_tz.nw
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