iOpenShell » Q-Chem specific questions » Error in $rem EOM_XX

Error in $rem EOM_XX

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Author Post
Member
Registered: Nov 2015
Posts: 2
Dear all,

Last few lines of output file are:

>EOM_EE_SINGLETS [2,2,2,2]
>
>Q-Chem fatal error occurred in module /home/scratch/svnadmin/26926_cinnabarbarian/qchem/qparser/read_rem.C, line 302:
>
>Illegal rem input in read_rem

This problem is seen for just "EOM_XX". Other jobs run just fine. Thank you for your time.
Member
Registered: Oct 2016
Posts: 3
Dear Nakul,

Were you able to find the solution?

Thanks!
Member
Registered: Nov 2015
Posts: 2
As far as I remember, it was not solved.
Administrator
Registered: Sep 2007
Posts: 175
The keywords for excited states have changed in order to be more uniform across different methods.
Use EE_STATES for excited states, SF_STATES for spin-flipped states, EA_STATES for attached states, and IP_STATES for ionized states. This is described in the updated manual. Let me know if you still have problems.

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iOpenShell » Q-Chem specific questions » Error in $rem EOM_XX