General Questions 122 topics

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

Subject	Replies / Views	Last Post
Invalid number of roots! Topic started 4 years 6 months ago, by ONVentura Last Post 4 years 6 months ago by kallay	Replies:1 Views:1907	Last Post by kallay 4 years 6 months ago
Memory and number of processors Topic started 4 years 6 months ago, by ONVentura Last Post 4 years 6 months ago by ONVentura	Replies:4 Views:2172	Last Post by ONVentura 4 years 6 months ago
range-separated functionals with Libxc in MRCC give strange total energy? Topic started 4 years 7 months ago, by houqq Last Post 4 years 7 months ago by houqq	Replies:2 Views:2084	Last Post by houqq 4 years 7 months ago
B97M-V in MRCC shows problem (No NL VV10 correction?) Topic started 4 years 7 months ago, by houqq Last Post 4 years 7 months ago by kallay	Replies:1 Views:1972	Last Post by kallay 4 years 7 months ago
DFT rgrid setup Options (Gauss–Chebyshev quadrature) in MRCC manual has a typo? Topic started 4 years 7 months ago, by houqq Last Post 4 years 7 months ago by kallay	Replies:1 Views:1798	Last Post by kallay 4 years 7 months ago
An Efficient Hartree–Fock Implementation Topic started 4 years 9 months ago, by houqq Last Post 4 years 9 months ago by houqq	Replies:0 Views:3476	Last Post by houqq 4 years 9 months ago
Orbitals from Molpro for standalone MRCC Topic started 5 years 4 weeks ago, by negoty Last Post 4 years 9 months ago by nagypeter	Replies:3 Views:2567	Last Post by nagypeter 4 years 9 months ago
Can only read custom built fort.55 if scftype=RHF Topic started 4 years 11 months ago, by Nike Last Post 4 years 11 months ago by Nike	Replies:2 Views:1987	Last Post by Nike 4 years 11 months ago
ADC(2) NTOs Topic started 5 years 2 weeks ago, by phillipseeber Last Post 5 years 1 week ago by mesterdavid	Replies:3 Views:2230	Last Post by mesterdavid 5 years 1 week ago
Density from DF- and Local correlation methods Topic started 5 years 3 weeks ago, by WanJ Last Post 5 years 3 weeks ago by WanJ	Replies:2 Views:2062	Last Post by WanJ 5 years 3 weeks ago
CCSD(T) triples crash Topic started 5 years 1 month ago, by negoty Last Post 5 years 1 month ago by negoty	Replies:2 Views:2088	Last Post by negoty 5 years 1 month ago
Choice of reference determinant Topic started 5 years 1 month ago, by negoty Last Post 5 years 1 month ago by kallay	Replies:1 Views:1860	Last Post by kallay 5 years 1 month ago
CCSD convergence Topic started 5 years 1 month ago, by negoty Last Post 5 years 1 month ago by negoty 1 2	Replies:7 Views:5542	Last Post by negoty 5 years 1 month ago
About VV10NL in the MRCC Topic started 5 years 2 months ago, by Feng Yu Last Post 5 years 2 months ago by kallay	Replies:1 Views:2139	Last Post by kallay 5 years 2 months ago
Problem with standalone MRCC for big basis sets Topic started 5 years 4 months ago, by Nike Last Post 5 years 4 months ago by kallay	Replies:1 Views:2011	Last Post by kallay 5 years 4 months ago
HF solution of Cr2 Topic started 5 years 4 months ago, by graceus Last Post 5 years 4 months ago by kallay	Replies:1 Views:2105	Last Post by kallay 5 years 4 months ago
Keywords ignored! Topic started 6 years 1 month ago, by Nike Last Post 5 years 5 months ago by kallay 1 2 3	Replies:17 Views:9889	Last Post by kallay 5 years 5 months ago
intramolecular fragment energy analysis Topic started 5 years 6 months ago, by sharley Last Post 5 years 6 months ago by nagypeter	Replies:1 Views:2083	Last Post by nagypeter 5 years 6 months ago
CCSDT calling EOM? Topic started 5 years 9 months ago, by bkwx97 Last Post 5 years 6 months ago by kallay 1 2	Replies:7 Views:6061	Last Post by kallay 5 years 6 months ago
Contents of the fort.* files Topic started 5 years 7 months ago, by Nike Last Post 5 years 7 months ago by kallay	Replies:3 Views:3036	Last Post by kallay 5 years 7 months ago

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General Questions 122 topics

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