[molpro-user] Guess basis ATOMIC-GUESS not found. No density guess!
werner at theochem.uni-stuttgart.de
Mon Jan 29 10:29:21 CET 2018
the warning should do not harm. I have just fixed this problem and the correction will be in the next patch of molpro2015.
Prof. Dr. Hans-Joachim Werner
Institut für Theoretische Chemie
70569 Stuttgart, Germany
e-mail: werner at theochem.uni-stuttgart.de
> Am 29.01.2018 um 07:38 schrieb Leonid Shirkov <leonid.shirkov at gmail.com>:
> Dear Molpro Community,
> I get the following message when using avXz-pp basis for He-Xe complex.
> "Guess basis ATOMIC-GUESS not found. No density guess!"
> This error shows up only when I'm using the midbond functions.
> However, it seems that the results converge properly.
> If I take Kr instead of Xe, then there is no this message.
> I just wanted to be sure that there is no reason to worry (input is
> attached and output was too big and was rejected).
> Best regards,
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> Molpro-user at molpro.net
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