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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Ubuntu 18
1 701 Feb 28th 12:07 pm
Edoapra
Problems with running dntmc calculation
1 383 Feb 26th 5:11 pm
Kirill96
TCE gives different energies compared to non-TCE CC calculations
1 487 Feb 24th 2:36 am
Xiongyan21
Frequency Analysis Grid Density Problem
14 1319 Feb 21st 4:54 am
Sparks
Receiving Error 3 on ccsdt(2)_q calculation in tce module
1 492 Feb 20th 4:25 pm
Edoapra
NMR spin-spin coupling calculation error - 0:nga_acc_common:cannot locate region: fca matrix...
1 501 Feb 15th 4:44 pm
Edoapra
Projecting small basis with ECP?
3 460 Feb 12th 11:35 am
Edoapra
An error with CCSD(T)/CCPVQZ Single point energy through TCE
1 605 Feb 6th 1:58 am
Xiongyan21
NWCHEM 6.8.1 Windows 10 -- Missing DPLOT??
1 483 Feb 4th 11:03 am
Edoapra
Constrain unit cell angle during optimization?
0 395 Feb 1st 5:52 am
Mdsimulationgroup
IPCCSD
8 995 Jan 29th 6:18 pm
Xiongyan21
Planewave Band Calculation Density of States - what are the columns?
0 379 Jan 29th 12:22 pm
Mdsimulationgroup
NWPW - Cutoff doubles during SCF
0 418 Jan 24th 6:46 am
Mdsimulationgroup
Parallelization causes a steep increase in user time
0 363 Jan 19th 3:07 am
Yurivict
CCSDT calculation of F2 at twice equilibrium distance cannot converge
4 740 Jan 18th 8:53 am
Xiongyan21
M06-L with Grimme DFT-D3 in NWPW?
0 397 Jan 18th 7:23 am
Mdsimulationgroup
Excited State Properties?
0 383 Jan 14th 9:53 am
Dblinger
NWchem running but not writing in output file
0 438 Jan 14th 2:11 am
Dkumar.rav
How to generate an output file during a parallel run on MAC OS X
3 2428 Jan 14th 1:47 am
Dkumar.rav
run ccsdt error
7 959 Jan 13th 10:05 pm
Xiongyan21
*
4 811 Jan 12th 7:13 am
Xiongyan21
Get error: Last System Error Message from Task 0:: No such file or directory
11 478 Jan 11th 3:43 pm
Edoapra
Which keyword let qmmm_freq.nw restart?
2 499 Jan 8th 11:14 am
Edoapra
movecs_write: ma failed error when doing TDDFT
1 578 Jan 3rd 12:40 pm
Sean
DFT Energy failure during calculation
4 1930 Dec 28th 9:27 am
Sean
Diatomic system energy calculation
1 527 Dec 26th 5:38 am
Sean

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