General Questions 126 topics

This is the place where you can put general questions/inquiries about MRCC related things.

Subject	Replies / Views	Last Post
Symmetry In the DIRAC interface to MRCC Category: General Questions Topic started 8 years 2 months ago, by wangf Last Post 8 years 1 month ago by kallay 1 2	Replies:10 Views:8099	Last Post by kallay 8 years 1 month ago
D2h symmetry discrepancy between MRCC and DIRAC Category: General Questions Topic started 8 years 2 months ago, by lixpas Last Post 8 years 2 months ago by lixpas	Replies:2 Views:3126	Last Post by lixpas 8 years 2 months ago
Symmetry of a transition density matrix Category: General Questions Topic started 8 years 8 months ago, by leos Last Post 8 years 2 months ago by leos	Replies:5 Views:4462	Last Post by leos 8 years 2 months ago
CCSDT(Q)/vtz calculation for the He atom Category: General Questions Topic started 8 years 4 months ago, by dolgonos Last Post 8 years 4 months ago by dolgonos	Replies:2 Views:3486	Last Post by dolgonos 8 years 4 months ago
Cfour interface Category: General Questions Topic started 8 years 5 months ago, by dolgonos Last Post 8 years 5 months ago by kallay	Replies:1 Views:3383	Last Post by kallay 8 years 5 months ago
dirac interface-fatal in 'dirac mointegral export' Category: General Questions Topic started 8 years 5 months ago, by wangf Last Post 8 years 5 months ago by kallay	Replies:3 Views:3517	Last Post by kallay 8 years 5 months ago
EOM-CC calculation from interface to DIRAC Category: General Questions Topic started 8 years 5 months ago, by wangf44 Last Post 8 years 5 months ago by wangf44	Replies:2 Views:3694	Last Post by wangf44 8 years 5 months ago
multi-reference CI approaches with cfour Category: General Questions Topic started 8 years 5 months ago, by yafuguan Last Post 8 years 5 months ago by kallay	Replies:1 Views:3561	Last Post by kallay 8 years 5 months ago
Dipole moment Category: General Questions Topic started 8 years 9 months ago, by tamas821 Last Post 8 years 6 months ago by tamas821 1 2	Replies:8 Views:10.9k	Last Post by tamas821 8 years 6 months ago
How to restart transition density calculation? Category: General Questions Topic started 8 years 9 months ago, by leos Last Post 8 years 9 months ago by leos	Replies:2 Views:3476	Last Post by leos 8 years 9 months ago
possible inaccuracies in calculating ECP integrals Category: General Questions Topic started 8 years 11 months ago, by leos Last Post 8 years 11 months ago by leos	Replies:2 Views:3330	Last Post by leos 8 years 11 months ago
print Dominant CI coefficients for every root Category: General Questions Topic started 9 years 6 months ago, by leos Last Post 9 years 5 days ago by leos	Replies:5 Views:3765	Last Post by leos 9 years 5 days ago
MOLPRO+MRCC run; is it stuck or proceeding okay Category: General Questions Topic started 9 years 2 weeks ago, by jsimmie Last Post 9 years 1 week ago by kallay	Replies:3 Views:3766	Last Post by kallay 9 years 1 week ago
Spin-orbit ECP Category: General Questions Topic started 9 years 2 months ago, by leos Last Post 9 years 2 months ago by kallay	Replies:1 Views:3435	Last Post by kallay 9 years 2 months ago
Convergence CCSDTQ Category: General Questions Topic started 9 years 4 months ago, by nooijen Last Post 9 years 4 months ago by kallay	Replies:2 Views:3158	Last Post by kallay 9 years 4 months ago
Calculating Excited Electronic States using MRCC Category: General Questions Topic started 9 years 6 months ago, by samstohme Last Post 9 years 5 months ago by samstohme 1 2 3	Replies:17 Views:14.8k	Last Post by samstohme 9 years 5 months ago
Calculating Excited Electronic States using MRCC Category: General Questions Topic started 9 years 5 months ago, by samstohme Last Post 9 years 5 months ago by samstohme	Replies:0 Views:3069	Last Post by samstohme 9 years 5 months ago
Calculating Excited Electronic States using MRCC Category: General Questions Topic started 9 years 5 months ago, by samstohme Last Post 9 years 5 months ago by samstohme	Replies:0 Views:3220	Last Post by samstohme 9 years 5 months ago
Geometry Optimization with MRCC Category: General Questions Topic started 9 years 5 months ago, by ccqc Last Post 9 years 5 months ago by kallay	Replies:1 Views:3672	Last Post by kallay 9 years 5 months ago
CC energy contributions Category: General Questions Topic started 9 years 6 months ago, by szsmiga Last Post 9 years 6 months ago by szsmiga	Replies:4 Views:3290	Last Post by szsmiga 9 years 6 months ago

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General Questions 126 topics

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