Author Topic: Restarting cc2/adc(2) excited state calculations  (Read 5106 times)

evgeniy

  • Sr. Member
  • ****
  • Posts: 110
  • Karma: +0/-0
Restarting cc2/adc(2) excited state calculations
« on: June 15, 2016, 01:52:18 PM »
Hello,

I have a short question concerning restarting cc2 and adc(2) calculations for excited states:
can both types of calculations, i.e. cc2 and adc(2), be restarted?
is some special keywords/option are needed in the control file for that?
Many thanks!

Best regards,
EVgeniy

christof.haettig

  • Global Moderator
  • Sr. Member
  • *****
  • Posts: 291
  • Karma: +0/-0
    • Hattig's Group at the RUB
Re: Restarting cc2/adc(2) excited state calculations
« Reply #1 on: October 06, 2016, 05:55:11 PM »
They can both be restarted.

But the restart flag into $ricc2 and provide the CC* files in the start directory and the program will try to figure out from where it can restart.

Christof