Special variable for SC-NEVPT2
20 views
Skip to first unread message
bjyor...@gmail.com
Nov 25, 2022, 4:55:50 PM11/25/22
to molpro-user
Dear Molpro Developers,
After a NEVPT2 computation, the "ENERGY" variable is set to PC-NEVPT2 energy. I wonder if there is a special variable to grab the SC-NEVPT2 energy. Thank you!
Best Regards,
York
Hans-Joachim Werner
Nov 26, 2022, 2:53:33 AM11/26/22
to bjyor...@gmail.com, molpro-user
It should be stored in variable ENERGC
Joachim Werner
> --
> You received this message because you are subscribed to the Google Groups "molpro-user" group.
> To unsubscribe from this group and stop receiving emails from it, send an email to molpro-user...@googlegroups.com.
> To view this discussion on the web, visit https://groups.google.com/d/msgid/molpro-user/a6ef9696-d6f1-4600-94f4-eaa08ff1211fn%40googlegroups.com.
Joachim Werner
> You received this message because you are subscribed to the Google Groups "molpro-user" group.
> To unsubscribe from this group and stop receiving emails from it, send an email to molpro-user...@googlegroups.com.
> To view this discussion on the web, visit https://groups.google.com/d/msgid/molpro-user/a6ef9696-d6f1-4600-94f4-eaa08ff1211fn%40googlegroups.com.
Reply all
Reply to author
Forward
0 new messages