Running NWChem

Announcement's Replies Views Last Action
Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups
0 1715 Jun 18th 5:01 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
0 13620 Dec 14th 2:51 pm
Edoapra

Jump to page 1Prev 2545678910Next 25Last
Thread Title Replies Views Last Action
calculations not reaching convergence
1 328 Jul 9th 5:48 pm
Yibo
Calculating oscillator strengths
2 626 Jul 3rd 10:48 am
Jmk12
Restarting Hessian Calculation
5 2971 Jun 24th 9:38 am
Seebol
NWChem6.8.1 MA Error
2 669 Jun 23rd 2:33 pm
Srhhh
New to NWChem and Avogadro...running the Getting started example
1 727 Jun 10th 1:07 pm
Jwkeller
Why parallel running does not reduce time?
0 408 Jun 1st 9:47 am
Rxdcpu
Different CCSD correlation energies between TCE and legacy CCSD code
2 461 May 29th 8:10 pm
Xiongyan21
How exactly are range-separated hybrids defined in NWChem?
0 367 May 23rd 8:45 pm
Etathetazeta
How to restart CPMD Metadynamics on NWChem?
0 319 May 17th 1:01 pm
Florianj
Missing library for nwpw calculation
0 364 May 9th 1:09 pm
Oka
How to construct SCAN0
4 484 May 9th 7:57 am
Goose99
Ensemble
1 1190 May 2nd 7:06 am
Bb2n18
CDFT: Unable to improve the multipliers during geometry optimization
1 379 May 1st 2:47 pm
Aaronchen0316
Why adding an independent job changes the following calculation?
0 377 Apr 22nd 2:31 pm
Taishanzhu
Raman calculation failed at Hessian
1 482 Apr 9th 10:57 am
Edoapra
molecular dynamics output file
3 3199 Apr 8th 4:40 am
Bb2n18
NaN problem with m-GGA (TPSS)
3 633 Apr 5th 1:51 pm
Jcpkato
Possible to restart CCSD or CCSDT TCE calculations?
3 581 Apr 3rd 5:48 pm
Xiongyan21
DPLOT in RT-TDDFT
6 2357 Mar 25th 11:08 am
Sean
Q-HOP MD simulation
0 452 Mar 11th 4:53 am
Josemanuel
ROHF RPA TDDFT Excited Energies Calculation of Sc Failed on Mac using PBE0 and aug-cc-pvdz
11 1787 Mar 10th 8:57 am
Xiongyan21
release constrained coordinates
0 453 Mar 7th 2:11 pm
Sibolin
Convergence problem for gold cluster (electrode)
1 474 Mar 5th 3:01 pm
Edoapra
Can this vibrational analysis be accepted as for a geometry optimization stationary point?
3 883 Mar 4th 9:18 pm
Xiongyan21
Failed convergence during ZORA property calculation
2 1099 Mar 1st 8:42 am
Fperras

Forum >> NWChem's corner >> Running NWChem
Jump to page 1Prev 2545678910Next 25Last