(836) Search Results

From NWChem

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

Thread Title Replies Views Last Action Forum
SCAN meta-GGA functional
Started By : Bsantra
4 730 Jul 19th 12:07 pm
Bsantra
NWChem functionality
v6.8.1 error in ddot intel compiler
Started By : Bsantra
3 42 Jul 18th 9:39 am
Edoapra
Compiling NWChem
Question about "actlist"and "fix atom"
Started By : Hong420
1 32 Jul 16th 9:17 am
Edoapra
General Topics
6.8 on Windows
Started By : P99
3 946 Jul 12th 10:58 am
Edoapra
Compiling NWChem
SCF energy of the NWChem sample (H2O)
Started By : Hong420
15 232 Jul 10th 6:31 pm
Hong420
Running NWChem
Restarting Hessian Calculation
Started By : Himadride
5 2441 Jun 24th 9:38 am
Seebol
Running NWChem
NWChem6.8.1 MA Error
Started By : Srhhh
2 97 Jun 23rd 2:33 pm
Srhhh
Running NWChem
code exiting after 'entering davidson iterations'
Started By : Elena
1 78 Jun 13th 1:29 am
Elena
Compiling NWChem
Dplot display of HOMO and LUMO
Started By : Bk.ong
6 5951 Jun 12th 3:03 pm
Cong314159
General Topics
Contributing problem
Started By : Reeming
6 437 Jun 7th 4:51 pm
Edoapra
General BSE Topics
How to construct SCAN0
Started By : Goose99
4 134 May 9th 7:57 am
Goose99
Running NWChem
Raman calculation failed at Hessian
Started By : Amartins
1 140 Apr 9th 10:57 am
Edoapra
Running NWChem
NaN problem with m-GGA (TPSS)
Started By : Jcpkato
3 202 Apr 5th 1:51 pm
Jcpkato
Running NWChem
Compiling NwChem 6.8.1 on Ubuntu 18.04 with OpenMPI 4.0 failed
Started By : Ftorazyne
11 448 Mar 27th 9:31 am
Edoapra
Compiling NWChem
Convergence problem for gold cluster (electrode)
Started By : Rockyroad
1 155 Mar 5th 3:01 pm
Edoapra
Running NWChem
geometry change between input and output as cube file using dplot
Started By : Braunm
5 102 Mar 1st 11:14 pm
Braunm
NWChem functionality
Failed convergence during ZORA property calculation
Started By : Fperras
2 177 Mar 1st 8:42 am
Fperras
Running NWChem
Ubuntu 18
Started By : Luismiguelvarela
1 203 Feb 28th 12:07 pm
Edoapra
Running NWChem
Frequency Analysis Grid Density Problem
Started By : Sparks
14 641 Feb 21st 4:54 am
Sparks
Running NWChem
Receiving Error 3 on ccsdt(2)_q calculation in tce module
Started By : Hemin
1 186 Feb 20th 4:25 pm
Edoapra
Running NWChem
NMR spin-spin coupling calculation error - 0:nga_acc_common:cannot locate region: fca matrix...
Started By : Attila
1 176 Feb 15th 4:44 pm
Edoapra
Running NWChem
Projecting small basis with ECP?
Started By : Mdsimulationgroup
3 161 Feb 12th 11:35 am
Edoapra
Running NWChem
Compiling NWChem 6.8 on CentOS 7.4 - problems w kernel 3.10.0-693.17.1
Started By : Jwkeller
5 958 Feb 11th 12:13 pm
Jwkeller
Compiling NWChem
Compiling NWChem in Ubuntu - Error MPI
Started By : Diego paschoal
2 284 Feb 5th 8:40 pm
Diego paschoal
Compiling NWChem
NWCHEM 6.8.1 Windows 10 -- Missing DPLOT??
Started By : Ajd42
1 172 Feb 4th 11:03 am
Edoapra
Running NWChem
Jump to page 12345678Next 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