General Questions 126 topics

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

Subject	Replies / Views	Last Post
Feature Request: Binary integrals! Category: General Questions Topic started 5 years 2 months ago, by Nike Last Post 5 years 2 months ago by nagypeter	Replies:1 Views:2122	Last Post by nagypeter 5 years 2 months ago
DFT calcualtion without frozen core Category: General Questions Topic started 5 years 2 months ago, by houqq Last Post 5 years 2 months ago by nagypeter	Replies:3 Views:2513	Last Post by nagypeter 5 years 2 months ago
Broken workflow for ROHF-CCSD Category: General Questions Topic started 5 years 2 months ago, by SBehnle Last Post 5 years 2 months ago by SBehnle	Replies:2 Views:2190	Last Post by SBehnle 5 years 2 months ago
Speeding up the reading of data with HDF5 Category: General Questions Topic started 5 years 5 months ago, by Nike Last Post 5 years 4 months ago by Nike	Replies:2 Views:2474	Last Post by Nike 5 years 4 months ago
Invalid number of roots! Category: General Questions Topic started 5 years 6 months ago, by ONVentura Last Post 5 years 6 months ago by kallay	Replies:1 Views:2337	Last Post by kallay 5 years 6 months ago
Memory and number of processors Category: General Questions Topic started 5 years 6 months ago, by ONVentura Last Post 5 years 6 months ago by ONVentura	Replies:4 Views:2712	Last Post by ONVentura 5 years 6 months ago
range-separated functionals with Libxc in MRCC give strange total energy? Category: General Questions Topic started 5 years 6 months ago, by houqq Last Post 5 years 6 months ago by houqq	Replies:2 Views:2476	Last Post by houqq 5 years 6 months ago
B97M-V in MRCC shows problem (No NL VV10 correction?) Category: General Questions Topic started 5 years 7 months ago, by houqq Last Post 5 years 7 months ago by kallay	Replies:1 Views:2401	Last Post by kallay 5 years 7 months ago
DFT rgrid setup Options (Gauss–Chebyshev quadrature) in MRCC manual has a typo? Category: General Questions Topic started 5 years 7 months ago, by houqq Last Post 5 years 7 months ago by kallay	Replies:1 Views:2196	Last Post by kallay 5 years 7 months ago
An Efficient Hartree–Fock Implementation Category: General Questions Topic started 5 years 9 months ago, by houqq Last Post 5 years 9 months ago by houqq	Replies:0 Views:4012	Last Post by houqq 5 years 9 months ago
Orbitals from Molpro for standalone MRCC Category: General Questions Topic started 6 years 2 weeks ago, by negoty Last Post 5 years 9 months ago by nagypeter	Replies:3 Views:3109	Last Post by nagypeter 5 years 9 months ago
Can only read custom built fort.55 if scftype=RHF Category: General Questions Topic started 5 years 11 months ago, by Nike Last Post 5 years 11 months ago by Nike	Replies:2 Views:2414	Last Post by Nike 5 years 11 months ago
ADC(2) NTOs Category: General Questions Topic started 6 years 2 days ago, by phillipseeber Last Post 5 years 11 months ago by mesterdavid	Replies:3 Views:2698	Last Post by mesterdavid 5 years 11 months ago
Density from DF- and Local correlation methods Category: General Questions Topic started 6 years 2 weeks ago, by WanJ Last Post 6 years 2 weeks ago by WanJ	Replies:2 Views:2464	Last Post by WanJ 6 years 2 weeks ago
CCSD(T) triples crash Category: General Questions Topic started 6 years 1 month ago, by negoty Last Post 6 years 2 weeks ago by negoty	Replies:2 Views:2546	Last Post by negoty 6 years 2 weeks ago
Choice of reference determinant Category: General Questions Topic started 6 years 1 month ago, by negoty Last Post 6 years 1 month ago by kallay	Replies:1 Views:2280	Last Post by kallay 6 years 1 month ago
CCSD convergence Category: General Questions Topic started 6 years 1 month ago, by negoty Last Post 6 years 1 month ago by negoty 1 2	Replies:7 Views:6781	Last Post by negoty 6 years 1 month ago
About VV10NL in the MRCC Category: General Questions Topic started 6 years 1 month ago, by Feng Yu Last Post 6 years 1 month ago by kallay	Replies:1 Views:2503	Last Post by kallay 6 years 1 month ago
Problem with standalone MRCC for big basis sets Category: General Questions Topic started 6 years 4 months ago, by Nike Last Post 6 years 4 months ago by kallay	Replies:1 Views:2438	Last Post by kallay 6 years 4 months ago
HF solution of Cr2 Category: General Questions Topic started 6 years 4 months ago, by graceus Last Post 6 years 4 months ago by kallay	Replies:1 Views:2485	Last Post by kallay 6 years 4 months ago

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General Questions 126 topics

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