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
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
Can this vibrational analysis be accepted as for a geometry optimization stationary point?
3 885 Mar 4th 9:18 pm
Xiongyan21
Failed convergence during ZORA property calculation
2 1101 Mar 1st 8:42 am
Fperras
Ubuntu 18
1 703 Feb 28th 12:07 pm
Edoapra
Problems with running dntmc calculation
1 386 Feb 26th 5:11 pm
Kirill96
TCE gives different energies compared to non-TCE CC calculations
1 489 Feb 24th 2:36 am
Xiongyan21
Frequency Analysis Grid Density Problem
14 1321 Feb 21st 4:54 am
Sparks
Receiving Error 3 on ccsdt(2)_q calculation in tce module
1 494 Feb 20th 4:25 pm
Edoapra
NMR spin-spin coupling calculation error - 0:nga_acc_common:cannot locate region: fca matrix...
1 503 Feb 15th 4:44 pm
Edoapra

Forum >> NWChem's corner >> Running NWChem
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