General Questions 124 topics

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

Subject	Replies / Views	Last Post
Broken workflow for ROHF-CCSD Category: General Questions Topic started 4 years 7 months ago, by SBehnle Last Post 4 years 7 months ago by SBehnle	Replies:2 Views:1929	Last Post by SBehnle 4 years 7 months ago
Speeding up the reading of data with HDF5 Category: General Questions Topic started 4 years 10 months ago, by Nike Last Post 4 years 10 months ago by Nike	Replies:2 Views:2213	Last Post by Nike 4 years 10 months ago
Invalid number of roots! Category: General Questions Topic started 4 years 11 months ago, by ONVentura Last Post 4 years 11 months ago by kallay	Replies:1 Views:2062	Last Post by kallay 4 years 11 months ago
Memory and number of processors Category: General Questions Topic started 4 years 11 months ago, by ONVentura Last Post 4 years 11 months ago by ONVentura	Replies:4 Views:2330	Last Post by ONVentura 4 years 11 months ago
range-separated functionals with Libxc in MRCC give strange total energy? Category: General Questions Topic started 4 years 11 months ago, by houqq Last Post 4 years 11 months ago by houqq	Replies:2 Views:2234	Last Post by houqq 4 years 11 months ago
B97M-V in MRCC shows problem (No NL VV10 correction?) Category: General Questions Topic started 5 years 2 weeks ago, by houqq Last Post 5 years 2 weeks ago by kallay	Replies:1 Views:2131	Last Post by kallay 5 years 2 weeks ago
DFT rgrid setup Options (Gauss–Chebyshev quadrature) in MRCC manual has a typo? Category: General Questions Topic started 5 years 2 weeks ago, by houqq Last Post 5 years 2 weeks ago by kallay	Replies:1 Views:1947	Last Post by kallay 5 years 2 weeks ago
An Efficient Hartree–Fock Implementation Category: General Questions Topic started 5 years 2 months ago, by houqq Last Post 5 years 2 months ago by houqq	Replies:0 Views:3624	Last Post by houqq 5 years 2 months ago
Orbitals from Molpro for standalone MRCC Category: General Questions Topic started 5 years 5 months ago, by negoty Last Post 5 years 2 months ago by nagypeter	Replies:3 Views:2780	Last Post by nagypeter 5 years 2 months ago
Can only read custom built fort.55 if scftype=RHF Category: General Questions Topic started 5 years 4 months ago, by Nike Last Post 5 years 4 months ago by Nike	Replies:2 Views:2133	Last Post by Nike 5 years 4 months ago
ADC(2) NTOs Category: General Questions Topic started 5 years 5 months ago, by phillipseeber Last Post 5 years 5 months ago by mesterdavid	Replies:3 Views:2408	Last Post by mesterdavid 5 years 5 months ago
Density from DF- and Local correlation methods Category: General Questions Topic started 5 years 5 months ago, by WanJ Last Post 5 years 5 months ago by WanJ	Replies:2 Views:2213	Last Post by WanJ 5 years 5 months ago
CCSD(T) triples crash Category: General Questions Topic started 5 years 6 months ago, by negoty Last Post 5 years 5 months ago by negoty	Replies:2 Views:2238	Last Post by negoty 5 years 5 months ago
Choice of reference determinant Category: General Questions Topic started 5 years 6 months ago, by negoty Last Post 5 years 6 months ago by kallay	Replies:1 Views:2012	Last Post by kallay 5 years 6 months ago
CCSD convergence Category: General Questions Topic started 5 years 6 months ago, by negoty Last Post 5 years 6 months ago by negoty 1 2	Replies:7 Views:5961	Last Post by negoty 5 years 6 months ago
About VV10NL in the MRCC Category: General Questions Topic started 5 years 7 months ago, by Feng Yu Last Post 5 years 7 months ago by kallay	Replies:1 Views:2278	Last Post by kallay 5 years 7 months ago
Problem with standalone MRCC for big basis sets Category: General Questions Topic started 5 years 9 months ago, by Nike Last Post 5 years 9 months ago by kallay	Replies:1 Views:2162	Last Post by kallay 5 years 9 months ago
HF solution of Cr2 Category: General Questions Topic started 5 years 9 months ago, by graceus Last Post 5 years 9 months ago by kallay	Replies:1 Views:2248	Last Post by kallay 5 years 9 months ago
Keywords ignored! Category: General Questions Topic started 6 years 6 months ago, by Nike Last Post 5 years 10 months ago by kallay 1 2 3	Replies:17 Views:10.6k	Last Post by kallay 5 years 10 months ago
intramolecular fragment energy analysis Category: General Questions Topic started 5 years 11 months ago, by sharley Last Post 5 years 10 months ago by nagypeter	Replies:1 Views:2230	Last Post by nagypeter 5 years 10 months ago

Time to create page: 0.019 seconds

General Questions 124 topics

MRCC Login