Running NWChem

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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

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Thread Title Replies Views Last Action
Optimization of H2O
2 495 Jul 23rd 6:16 pm
Hong420
Electron transfer based on CDFT
1 1562 Jul 22nd 3:31 pm
Nishat
SCF energy of the NWChem sample (H2O)
15 886 Jul 10th 6:31 pm
Hong420
calculations not reaching convergence
1 330 Jul 9th 5:48 pm
Yibo
Calculating oscillator strengths
2 628 Jul 3rd 10:48 am
Jmk12
Restarting Hessian Calculation
5 2973 Jun 24th 9:38 am
Seebol
NWChem6.8.1 MA Error
2 671 Jun 23rd 2:33 pm
Srhhh
New to NWChem and Avogadro...running the Getting started example
1 729 Jun 10th 1:07 pm
Jwkeller
Why parallel running does not reduce time?
0 410 Jun 1st 9:47 am
Rxdcpu
Different CCSD correlation energies between TCE and legacy CCSD code
2 463 May 29th 8:10 pm
Xiongyan21
How exactly are range-separated hybrids defined in NWChem?
0 369 May 23rd 8:45 pm
Etathetazeta
How to restart CPMD Metadynamics on NWChem?
0 321 May 17th 1:01 pm
Florianj
Missing library for nwpw calculation
0 366 May 9th 1:09 pm
Oka
How to construct SCAN0
4 486 May 9th 7:57 am
Goose99
Ensemble
1 1192 May 2nd 7:06 am
Bb2n18
CDFT: Unable to improve the multipliers during geometry optimization
1 381 May 1st 2:47 pm
Aaronchen0316
Why adding an independent job changes the following calculation?
0 379 Apr 22nd 2:31 pm
Taishanzhu
Raman calculation failed at Hessian
1 484 Apr 9th 10:57 am
Edoapra
molecular dynamics output file
3 3201 Apr 8th 4:40 am
Bb2n18
NaN problem with m-GGA (TPSS)
3 635 Apr 5th 1:51 pm
Jcpkato
Possible to restart CCSD or CCSDT TCE calculations?
3 583 Apr 3rd 5:48 pm
Xiongyan21
DPLOT in RT-TDDFT
6 2359 Mar 25th 11:08 am
Sean
Q-HOP MD simulation
0 454 Mar 11th 4:53 am
Josemanuel
ROHF RPA TDDFT Excited Energies Calculation of Sc Failed on Mac using PBE0 and aug-cc-pvdz
11 1789 Mar 10th 8:57 am
Xiongyan21
release constrained coordinates
0 455 Mar 7th 2:11 pm
Sibolin
Convergence problem for gold cluster (electrode)
1 476 Mar 5th 3:01 pm
Edoapra

Forum >> NWChem's corner >> Running NWChem
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