(32) Search Results

From NWChem

Displaying 25 results for: Karol Posts
Jump to: navigation, search

Thread Title Replies Views Last Action Forum
CCSD 2emet 9 returns error
Started By : Vladimir
3 374 Dec 6th 9:57 am
Karol
Running NWChem
CCSD gradients
Started By : Mbanck
7 741 May 29th 2:35 pm
Mbanck
NWChem functionality
many TCE methods broken with 2eorb
Started By : Mernst
4 922 Dec 3rd 6:44 am
Jhammond
Running NWChem
Memory UHF-based TCE
Started By : Yjiao03
2 655 Aug 31st 8:52 pm
Yjiao03
Running NWChem
tce_mrcc_readref
Started By : Cchang
2 755 Jul 8th 12:04 pm
Karol
Running NWChem
mkccsd geometry optimization
Started By : Sokovyty
2 1574 Feb 12th 7:03 pm
Vladimir
NWChem functionality
Help with large CCSD(T) Calculation
Started By : Kmclaugh
8 5107 Dec 24th 2:52 am
Neo
Running NWChem
ARMCI DASSERT fail for CCSD property job
Started By : Cnrowley
2 1804 Dec 10th 9:40 am
Jhammond
Running NWChem
TCE CCSD print "t2" output
Started By : Cchang
3 1723 Dec 10th 9:13 am
Jhammond
Running NWChem
TCE - Problems with GA
Started By : CoolEsza
3 1493 Dec 10th 9:02 am
Jhammond
Running NWChem
How to do BCCD(T) computation in NWChem?
Started By : Rana
8 1889 Dec 10th 8:49 am
Jhammond
General Topics
current right signature 0 != proper right signature
Started By : Vladimir
3 1586 Nov 14th 11:10 pm
Vladimir
Running NWChem
Bug in running of IP/EA CCSD?
Started By : Cmjohns6
2 1058 Sep 29th 10:14 am
Cmjohns6
Running NWChem
Different results between using DFT and SCF reference WF in TCE CCSD(T)
Started By : Niu
2 965 Sep 25th 5:12 pm
Karol
Running NWChem
EA/IP-EOM-CC Implemented in nwchem?
Started By : Cmjohns6
4 1710 Sep 5th 10:19 am
Karol
General Topics
CR-EOMCCSD(T) correction question
Started By : Louisgb
1 1378 Jan 8th 10:34 am
Karol
NWChem functionality
EOM-CCSD converged to zero excitation energy
Started By : Louisgb
2 1187 Jan 6th 8:58 pm
Louisgb
NWChem functionality
bizarre CCSD correlation energy
Started By : Gpw501
15 1663 Sep 28th 4:10 pm
Gpw501
Running NWChem
Solving for a large Number of Roots in EOM-CCSD calculation
Started By : DouDou
1 1334 Jun 20th 10:07 am
Karol
Running NWChem
TCE runs fail for ROHF MP2
Started By : AndrewW
3 2169 Jun 7th 12:22 am
Jhammond
Running NWChem
Is this a memory problem?
Started By : Psd
3 2555 Dec 10th 11:43 am
Karol
Running NWChem
memory problem in parallel running "ARMCI DASSERT fail"
Started By : Psd
9 9260 Nov 16th 12:52 pm
Karol
Running NWChem
The excitation energy on EOM-CCSD QM/MM calculation?
Started By : Wjb0920
3 2154 Nov 13th 5:15 am
Wjb0920
QMMM
EOM-CCSD problem, all excitation energies go to zero
Started By : Martijn
2 1425 Oct 24th 7:25 am
Martijn
Running NWChem
Nwchem 6.1 TCE error "tce_hash: key not found 0"
Started By : Obm
1 1746 Oct 19th 8:14 am
Karol
Running NWChem
Jump to page 12Next 25Last

Who's here now Members 0 Guests 0 Bots/Crawler 0


AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC