General Questions 131 topics

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

Subject	Replies / Views	Last Post
Interchanging keywords between interfaced programs Category: General Questions Topic started 8 years 3 weeks ago, by Nike Last Post 7 years 11 months ago by Nike 1 2	Replies:6 Views:8803	Last Post by Nike 7 years 11 months ago
Calculate Element 118 (Uuo/Og) with MRCC Category: General Questions Topic started 8 years 2 weeks ago, by pjerabek Last Post 8 years 2 weeks ago by pjerabek	Replies:3 Views:4039	Last Post by pjerabek 8 years 2 weeks ago
Non-relativistic calculation with DIRAC interface Category: General Questions Topic started 8 years 2 weeks ago, by pjerabek Last Post 8 years 2 weeks ago by pjerabek	Replies:2 Views:3343	Last Post by pjerabek 8 years 2 weeks ago
CC calculations on A1Pi state of AlH Category: General Questions Topic started 8 years 1 month ago, by Ben_Shires Last Post 8 years 1 month ago by kallay	Replies:3 Views:3709	Last Post by kallay 8 years 1 month ago
Symm for states of EOM-CCSD using RECP from DIRAC Category: General Questions Topic started 8 years 4 months ago, by wangf Last Post 8 years 4 months ago by wangf	Replies:0 Views:3337	Last Post by wangf 8 years 4 months ago
Symmetry In the DIRAC interface to MRCC Category: General Questions Topic started 8 years 6 months ago, by wangf Last Post 8 years 6 months ago by kallay 1 2	Replies:10 Views:8714	Last Post by kallay 8 years 6 months ago
D2h symmetry discrepancy between MRCC and DIRAC Category: General Questions Topic started 8 years 6 months ago, by lixpas Last Post 8 years 6 months ago by lixpas	Replies:2 Views:3325	Last Post by lixpas 8 years 6 months ago
Symmetry of a transition density matrix Category: General Questions Topic started 9 years 4 weeks ago, by leos Last Post 8 years 6 months ago by leos	Replies:5 Views:4678	Last Post by leos 8 years 6 months ago
CCSDT(Q)/vtz calculation for the He atom Category: General Questions Topic started 8 years 9 months ago, by dolgonos Last Post 8 years 9 months ago by dolgonos	Replies:2 Views:3718	Last Post by dolgonos 8 years 9 months ago
Cfour interface Category: General Questions Topic started 8 years 9 months ago, by dolgonos Last Post 8 years 9 months ago by kallay	Replies:1 Views:3576	Last Post by kallay 8 years 9 months ago
dirac interface-fatal in 'dirac mointegral export' Category: General Questions Topic started 8 years 9 months ago, by wangf Last Post 8 years 9 months ago by kallay	Replies:3 Views:3703	Last Post by kallay 8 years 9 months ago
EOM-CC calculation from interface to DIRAC Category: General Questions Topic started 8 years 9 months ago, by wangf44 Last Post 8 years 9 months ago by wangf44	Replies:2 Views:3887	Last Post by wangf44 8 years 9 months ago
multi-reference CI approaches with cfour Category: General Questions Topic started 8 years 10 months ago, by yafuguan Last Post 8 years 10 months ago by kallay	Replies:1 Views:3774	Last Post by kallay 8 years 10 months ago
Dipole moment Category: General Questions Topic started 9 years 2 months ago, by tamas821 Last Post 8 years 11 months ago by tamas821 1 2	Replies:8 Views:11.6k	Last Post by tamas821 8 years 11 months ago
How to restart transition density calculation? Category: General Questions Topic started 9 years 1 month ago, by leos Last Post 9 years 1 month ago by leos	Replies:2 Views:3661	Last Post by leos 9 years 1 month ago
possible inaccuracies in calculating ECP integrals Category: General Questions Topic started 9 years 3 months ago, by leos Last Post 9 years 3 months ago by leos	Replies:2 Views:3527	Last Post by leos 9 years 3 months ago
print Dominant CI coefficients for every root Category: General Questions Topic started 9 years 10 months ago, by leos Last Post 9 years 4 months ago by leos	Replies:5 Views:3989	Last Post by leos 9 years 4 months ago
MOLPRO+MRCC run; is it stuck or proceeding okay Category: General Questions Topic started 9 years 5 months ago, by jsimmie Last Post 9 years 4 months ago by kallay	Replies:3 Views:3957	Last Post by kallay 9 years 4 months ago
Spin-orbit ECP Category: General Questions Topic started 9 years 6 months ago, by leos Last Post 9 years 6 months ago by kallay	Replies:1 Views:3656	Last Post by kallay 9 years 6 months ago
Convergence CCSDTQ Category: General Questions Topic started 9 years 8 months ago, by nooijen Last Post 9 years 8 months ago by kallay	Replies:2 Views:3347	Last Post by kallay 9 years 8 months ago

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General Questions 131 topics

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