[molpro-user] Guess basis ATOMIC-GUESS not found. No density guess!

Leonid Shirkov leonid.shirkov at gmail.com
Mon Jan 29 07:38:57 CET 2018


 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,
 Leonid
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