(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
3 448 Dec 6th 8:57 am
Karol
Running NWChem
CCSD gradients
Started By : Mbanck
7 820 May 29th 1:35 pm
Mbanck
NWChem functionality
many TCE methods broken with 2eorb
Started By : Mernst
4 1001 Dec 3rd 5:44 am
Jhammond
Running NWChem
Memory UHF-based TCE
Started By : Yjiao03
2 708 Aug 31st 7:52 pm
Yjiao03
Running NWChem
tce_mrcc_readref
Started By : Cchang
2 804 Jul 8th 11:04 am
Karol
Running NWChem
mkccsd geometry optimization
Started By : Sokovyty
2 1623 Feb 12th 6:03 pm
Vladimir
NWChem functionality
Help with large CCSD(T) Calculation
Started By : Kmclaugh
8 5296 Dec 24th 1:52 am
Neo
Running NWChem
ARMCI DASSERT fail for CCSD property job
Started By : Cnrowley
2 1833 Dec 10th 8:40 am
Jhammond
Running NWChem
TCE CCSD print "t2" output
Started By : Cchang
3 1782 Dec 10th 8:13 am
Jhammond
Running NWChem
TCE - Problems with GA
Started By : CoolEsza
3 1544 Dec 10th 8:02 am
Jhammond
Running NWChem
How to do BCCD(T) computation in NWChem?
Started By : Rana
8 1942 Dec 10th 7:49 am
Jhammond
General Topics
current right signature 0 != proper right signature
Started By : Vladimir
3 1638 Nov 14th 10:10 pm
Vladimir
Running NWChem
Bug in running of IP/EA CCSD?
Started By : Cmjohns6
2 1099 Sep 29th 9:14 am
Cmjohns6
Running NWChem
Different results between using DFT and SCF reference WF in TCE CCSD(T)
Started By : Niu
2 1011 Sep 25th 4:12 pm
Karol
Running NWChem
EA/IP-EOM-CC Implemented in nwchem?
Started By : Cmjohns6
4 1768 Sep 5th 9:19 am
Karol
General Topics
CR-EOMCCSD(T) correction question
Started By : Louisgb
1 1420 Jan 8th 9:34 am
Karol
NWChem functionality
EOM-CCSD converged to zero excitation energy
Started By : Louisgb
2 1214 Jan 6th 7:58 pm
Louisgb
NWChem functionality
bizarre CCSD correlation energy
Started By : Gpw501
15 1730 Sep 28th 3:10 pm
Gpw501
Running NWChem
Solving for a large Number of Roots in EOM-CCSD calculation
Started By : DouDou
1 1359 Jun 20th 9:07 am
Karol
Running NWChem
TCE runs fail for ROHF MP2
Started By : AndrewW
3 2232 Jun 6th 11:22 pm
Jhammond
Running NWChem
Is this a memory problem?
Started By : Psd
3 2609 Dec 10th 10:43 am
Karol
Running NWChem
memory problem in parallel running "ARMCI DASSERT fail"
Started By : Psd
9 9452 Nov 16th 11:52 am
Karol
Running NWChem
The excitation energy on EOM-CCSD QM/MM calculation?
Started By : Wjb0920
3 2198 Nov 13th 4:15 am
Wjb0920
QMMM
EOM-CCSD problem, all excitation energies go to zero
Started By : Martijn
2 1457 Oct 24th 6:25 am
Martijn
Running NWChem
Nwchem 6.1 TCE error "tce_hash: key not found 0"
Started By : Obm
1 1775 Oct 19th 7:14 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