General Questions 132 topics

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

Subject	Replies / Views	Last Post
printing basis sets Category: General Questions Topic started 8 years 1 month ago, by koput Last Post 8 years 1 month ago by koput	Replies:2 Views:3585	Last Post by koput 8 years 1 month ago
Interchanging keywords between interfaced programs Category: General Questions Topic started 8 years 5 months ago, by Nike Last Post 8 years 4 months ago by Nike 1 2	Replies:6 Views:9896	Last Post by Nike 8 years 4 months ago
Calculate Element 118 (Uuo/Og) with MRCC Category: General Questions Topic started 8 years 5 months ago, by pjerabek Last Post 8 years 5 months ago by pjerabek	Replies:3 Views:4380	Last Post by pjerabek 8 years 5 months ago
Non-relativistic calculation with DIRAC interface Category: General Questions Topic started 8 years 5 months ago, by pjerabek Last Post 8 years 5 months ago by pjerabek	Replies:2 Views:3689	Last Post by pjerabek 8 years 5 months ago
CC calculations on A1Pi state of AlH Category: General Questions Topic started 8 years 6 months ago, by Ben_Shires Last Post 8 years 6 months ago by kallay	Replies:3 Views:4055	Last Post by kallay 8 years 6 months ago
Symm for states of EOM-CCSD using RECP from DIRAC Category: General Questions Topic started 8 years 9 months ago, by wangf Last Post 8 years 9 months ago by wangf	Replies:0 Views:3691	Last Post by wangf 8 years 9 months ago
Symmetry In the DIRAC interface to MRCC Category: General Questions Topic started 8 years 11 months ago, by wangf Last Post 8 years 11 months ago by kallay 1 2	Replies:10 Views:9681	Last Post by kallay 8 years 11 months ago
D2h symmetry discrepancy between MRCC and DIRAC Category: General Questions Topic started 8 years 11 months ago, by lixpas Last Post 8 years 11 months ago by lixpas	Replies:2 Views:3668	Last Post by lixpas 8 years 11 months ago
Symmetry of a transition density matrix Category: General Questions Topic started 9 years 5 months ago, by leos Last Post 8 years 11 months ago by leos	Replies:5 Views:5038	Last Post by leos 8 years 11 months ago
CCSDT(Q)/vtz calculation for the He atom Category: General Questions Topic started 9 years 1 month ago, by dolgonos Last Post 9 years 1 month ago by dolgonos	Replies:2 Views:4064	Last Post by dolgonos 9 years 1 month ago
Cfour interface Category: General Questions Topic started 9 years 2 months ago, by dolgonos Last Post 9 years 2 months ago by kallay	Replies:1 Views:3913	Last Post by kallay 9 years 2 months ago
dirac interface-fatal in 'dirac mointegral export' Category: General Questions Topic started 9 years 2 months ago, by wangf Last Post 9 years 2 months ago by kallay	Replies:3 Views:4039	Last Post by kallay 9 years 2 months ago
EOM-CC calculation from interface to DIRAC Category: General Questions Topic started 9 years 2 months ago, by wangf44 Last Post 9 years 2 months ago by wangf44	Replies:2 Views:4224	Last Post by wangf44 9 years 2 months ago
multi-reference CI approaches with cfour Category: General Questions Topic started 9 years 2 months ago, by yafuguan Last Post 9 years 2 months ago by kallay	Replies:1 Views:4125	Last Post by kallay 9 years 2 months ago
Dipole moment Category: General Questions Topic started 9 years 6 months ago, by tamas821 Last Post 9 years 4 months ago by tamas821 1 2	Replies:8 Views:12.7k	Last Post by tamas821 9 years 4 months ago
How to restart transition density calculation? Category: General Questions Topic started 9 years 6 months ago, by leos Last Post 9 years 6 months ago by leos	Replies:2 Views:4003	Last Post by leos 9 years 6 months ago
possible inaccuracies in calculating ECP integrals Category: General Questions Topic started 9 years 8 months ago, by leos Last Post 9 years 8 months ago by leos	Replies:2 Views:3858	Last Post by leos 9 years 8 months ago
print Dominant CI coefficients for every root Category: General Questions Topic started 10 years 3 months ago, by leos Last Post 9 years 9 months ago by leos	Replies:5 Views:4323	Last Post by leos 9 years 9 months ago
MOLPRO+MRCC run; is it stuck or proceeding okay Category: General Questions Topic started 9 years 9 months ago, by jsimmie Last Post 9 years 9 months ago by kallay	Replies:3 Views:4250	Last Post by kallay 9 years 9 months ago
Spin-orbit ECP Category: General Questions Topic started 9 years 11 months ago, by leos Last Post 9 years 11 months ago by kallay	Replies:1 Views:4025	Last Post by kallay 9 years 11 months ago

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General Questions 132 topics

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