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 25567891011Next 25Last

Thread Title	Replies	Views	Last Action
Problems with running dntmc calculation	1	385	Feb 26th 5:11 pm Kirill96
TCE gives different energies compared to non-TCE CC calculations	1	488	Feb 24th 2:36 am Xiongyan21
Frequency Analysis Grid Density Problem	14	1320	Feb 21st 4:54 am Sparks
Receiving Error 3 on ccsdt(2)_q calculation in tce module	1	493	Feb 20th 4:25 pm Edoapra
NMR spin-spin coupling calculation error - 0:nga_acc_common:cannot locate region: fca matrix...	1	502	Feb 15th 4:44 pm Edoapra
Projecting small basis with ECP?	3	461	Feb 12th 11:35 am Edoapra
An error with CCSD(T)/CCPVQZ Single point energy through TCE	1	606	Feb 6th 1:58 am Xiongyan21
NWCHEM 6.8.1 Windows 10 -- Missing DPLOT??	1	484	Feb 4th 11:03 am Edoapra
Constrain unit cell angle during optimization?	0	396	Feb 1st 5:52 am Mdsimulationgroup
IPCCSD	8	996	Jan 29th 6:18 pm Xiongyan21
Planewave Band Calculation Density of States - what are the columns?	0	380	Jan 29th 12:22 pm Mdsimulationgroup
NWPW - Cutoff doubles during SCF	0	419	Jan 24th 6:46 am Mdsimulationgroup
Parallelization causes a steep increase in user time	0	364	Jan 19th 3:07 am Yurivict
CCSDT calculation of F2 at twice equilibrium distance cannot converge	4	741	Jan 18th 8:53 am Xiongyan21
M06-L with Grimme DFT-D3 in NWPW?	0	398	Jan 18th 7:23 am Mdsimulationgroup
Excited State Properties?	0	384	Jan 14th 9:53 am Dblinger
NWchem running but not writing in output file	0	439	Jan 14th 2:11 am Dkumar.rav
How to generate an output file during a parallel run on MAC OS X	3	2429	Jan 14th 1:47 am Dkumar.rav
run ccsdt error	7	960	Jan 13th 10:05 pm Xiongyan21
*	4	812	Jan 12th 7:13 am Xiongyan21
Get error: Last System Error Message from Task 0:: No such file or directory	11	479	Jan 11th 3:43 pm Edoapra
Which keyword let qmmm_freq.nw restart?	2	500	Jan 8th 11:14 am Edoapra
movecs_write: ma failed error when doing TDDFT	1	579	Jan 3rd 12:40 pm Sean
DFT Energy failure during calculation	4	1931	Dec 28th 9:27 am Sean
Diatomic system energy calculation	1	528	Dec 26th 5:38 am Sean
CCSD(T) Opt stops at Step 0	1	465	Dec 18th 1:12 pm Mdsimulationgroup

Forum >> NWChem's corner >> Running NWChem

Jump to page 1Prev 25567891011Next 25Last