General Questions 97 topics

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

Subject	Replies / Views	Last Post
Saving natural orbitals into MOLDEN Topic started 3 years 9 months ago, by sobereva Last Post 3 years 9 months ago by sobereva	Replies:2 Views:1829	Last Post by sobereva 3 years 9 months ago
arbitrary order Moller-Plesset calculations Topic started 3 years 10 months ago, by szsmiga Last Post 3 years 10 months ago by kallay	Replies:1 Views:1680	Last Post by kallay 3 years 10 months ago
Low lying excited states Topic started 3 years 10 months ago, by mongepm Last Post 3 years 10 months ago by kallay	Replies:1 Views:1796	Last Post by kallay 3 years 10 months ago
Some general doubts Topic started 3 years 11 months ago, by jluiscasalssainz Last Post 3 years 10 months ago by kallay 1 2	Replies:10 Views:4730	Last Post by kallay 3 years 10 months ago
Open shell LCC in the future? Topic started 4 years 1 month ago, by bkwx97 Last Post 4 years 1 month ago by kallay	Replies:1 Views:1755	Last Post by kallay 4 years 1 month ago
printing basis sets Topic started 4 years 2 months ago, by koput Last Post 4 years 2 months ago by koput	Replies:2 Views:1887	Last Post by koput 4 years 2 months ago
Interchanging keywords between interfaced programs Topic started 4 years 6 months ago, by Nike Last Post 4 years 4 months ago by Nike 1 2	Replies:6 Views:4808	Last Post by Nike 4 years 4 months ago
Calculate Element 118 (Uuo/Og) with MRCC Topic started 4 years 5 months ago, by pjerabek Last Post 4 years 5 months ago by pjerabek	Replies:3 Views:2465	Last Post by pjerabek 4 years 5 months ago
Non-relativistic calculation with DIRAC interface Topic started 4 years 5 months ago, by pjerabek Last Post 4 years 5 months ago by pjerabek	Replies:2 Views:2009	Last Post by pjerabek 4 years 5 months ago
CC calculations on A1Pi state of AlH Topic started 4 years 7 months ago, by Ben_Shires Last Post 4 years 6 months ago by kallay	Replies:3 Views:2214	Last Post by kallay 4 years 6 months ago
Symm for states of EOM-CCSD using RECP from DIRAC Topic started 4 years 9 months ago, by wangf Last Post 4 years 9 months ago by wangf	Replies:0 Views:1860	Last Post by wangf 4 years 9 months ago
Symmetry In the DIRAC interface to MRCC Topic started 4 years 11 months ago, by wangf Last Post 4 years 11 months ago by kallay 1 2	Replies:10 Views:4951	Last Post by kallay 4 years 11 months ago
D2h symmetry discrepancy between MRCC and DIRAC Topic started 5 years 2 days ago, by lixpas Last Post 5 years 19 hours ago by lixpas	Replies:2 Views:1968	Last Post by lixpas 5 years 19 hours ago
Symmetry of a transition density matrix Topic started 5 years 6 months ago, by leos Last Post 5 years 1 week ago by leos	Replies:5 Views:3091	Last Post by leos 5 years 1 week ago
CCSDT(Q)/vtz calculation for the He atom Topic started 5 years 2 months ago, by dolgonos Last Post 5 years 2 months ago by dolgonos	Replies:2 Views:2269	Last Post by dolgonos 5 years 2 months ago
Cfour interface Topic started 5 years 3 months ago, by dolgonos Last Post 5 years 3 months ago by kallay	Replies:1 Views:2254	Last Post by kallay 5 years 3 months ago
dirac interface-fatal in 'dirac mointegral export' Topic started 5 years 3 months ago, by wangf Last Post 5 years 3 months ago by kallay	Replies:3 Views:2356	Last Post by kallay 5 years 3 months ago
EOM-CC calculation from interface to DIRAC Topic started 5 years 3 months ago, by wangf44 Last Post 5 years 3 months ago by wangf44	Replies:2 Views:2540	Last Post by wangf44 5 years 3 months ago
multi-reference CI approaches with cfour Topic started 5 years 3 months ago, by yafuguan Last Post 5 years 3 months ago by kallay	Replies:1 Views:2355	Last Post by kallay 5 years 3 months ago
Dipole moment Topic started 5 years 7 months ago, by tamas821 Last Post 5 years 4 months ago by tamas821 1 2	Replies:8 Views:6492	Last Post by tamas821 5 years 4 months ago

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General Questions 97 topics

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