General Questions 106 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 Topic started 6 years 2 months ago, by wangf Last Post 6 years 2 months ago by kallay 1 2	Replies:10 Views:6185	Last Post by kallay 6 years 2 months ago
D2h symmetry discrepancy between MRCC and DIRAC Topic started 6 years 2 months ago, by lixpas Last Post 6 years 2 months ago by lixpas	Replies:2 Views:2405	Last Post by lixpas 6 years 2 months ago
Symmetry of a transition density matrix Topic started 6 years 8 months ago, by leos Last Post 6 years 2 months ago by leos	Replies:5 Views:3665	Last Post by leos 6 years 2 months ago
CCSDT(Q)/vtz calculation for the He atom Topic started 6 years 5 months ago, by dolgonos Last Post 6 years 5 months ago by dolgonos	Replies:2 Views:2748	Last Post by dolgonos 6 years 5 months ago
Cfour interface Topic started 6 years 5 months ago, by dolgonos Last Post 6 years 5 months ago by kallay	Replies:1 Views:2704	Last Post by kallay 6 years 5 months ago
dirac interface-fatal in 'dirac mointegral export' Topic started 6 years 5 months ago, by wangf Last Post 6 years 5 months ago by kallay	Replies:3 Views:2809	Last Post by kallay 6 years 5 months ago
EOM-CC calculation from interface to DIRAC Topic started 6 years 5 months ago, by wangf44 Last Post 6 years 5 months ago by wangf44	Replies:2 Views:2997	Last Post by wangf44 6 years 5 months ago
multi-reference CI approaches with cfour Topic started 6 years 5 months ago, by yafuguan Last Post 6 years 5 months ago by kallay	Replies:1 Views:2821	Last Post by kallay 6 years 5 months ago
Dipole moment Topic started 6 years 9 months ago, by tamas821 Last Post 6 years 7 months ago by tamas821 1 2	Replies:8 Views:8265	Last Post by tamas821 6 years 7 months ago
How to restart transition density calculation? Topic started 6 years 9 months ago, by leos Last Post 6 years 9 months ago by leos	Replies:2 Views:2758	Last Post by leos 6 years 9 months ago
possible inaccuracies in calculating ECP integrals Topic started 6 years 11 months ago, by leos Last Post 6 years 11 months ago by leos	Replies:2 Views:2708	Last Post by leos 6 years 11 months ago
print Dominant CI coefficients for every root Topic started 7 years 6 months ago, by leos Last Post 7 years 1 week ago by leos	Replies:5 Views:3094	Last Post by leos 7 years 1 week ago
MOLPRO+MRCC run; is it stuck or proceeding okay Topic started 7 years 3 weeks ago, by jsimmie Last Post 7 years 3 weeks ago by kallay	Replies:3 Views:3028	Last Post by kallay 7 years 3 weeks ago
Spin-orbit ECP Topic started 7 years 2 months ago, by leos Last Post 7 years 2 months ago by kallay	Replies:1 Views:2775	Last Post by kallay 7 years 2 months ago
Convergence CCSDTQ Topic started 7 years 4 months ago, by nooijen Last Post 7 years 4 months ago by kallay	Replies:2 Views:2444	Last Post by kallay 7 years 4 months ago
Calculating Excited Electronic States using MRCC Topic started 7 years 7 months ago, by samstohme Last Post 7 years 5 months ago by samstohme 1 2 3	Replies:17 Views:11.6k	Last Post by samstohme 7 years 5 months ago
Calculating Excited Electronic States using MRCC Topic started 7 years 5 months ago, by samstohme Last Post 7 years 5 months ago by samstohme	Replies:0 Views:2305	Last Post by samstohme 7 years 5 months ago
Calculating Excited Electronic States using MRCC Topic started 7 years 5 months ago, by samstohme Last Post 7 years 5 months ago by samstohme	Replies:0 Views:2521	Last Post by samstohme 7 years 5 months ago
Geometry Optimization with MRCC Topic started 7 years 5 months ago, by ccqc Last Post 7 years 5 months ago by kallay	Replies:1 Views:2986	Last Post by kallay 7 years 5 months ago
CC energy contributions Topic started 7 years 6 months ago, by szsmiga Last Post 7 years 6 months ago by szsmiga	Replies:4 Views:2583	Last Post by szsmiga 7 years 6 months ago

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General Questions 106 topics

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