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 25891011121314Next 25Last
Thread Title Replies Views Last Action
print ci coefficients
0 553 May 10th 9:12 am
Rhallduc
constraints slab fix atom 173 174:698 NW ver 6.6
2 786 May 5th 5:44 am
Marcel
PDOS calculation with nwchem
0 674 May 1st 1:51 am
Ghoshnaren13
Optimized geometry is different from G09 or Quantum espresso.
1 790 May 1st 1:48 am
Ghoshnaren13
Atoms Are Too Close, Please Check your Geometry Input
7 1612 Apr 26th 5:10 am
Sean
tce CCSD(t) calculation 6DTS error
1 638 Apr 23rd 3:58 pm
Karol
NWCHEM6.8 Prints Different Excitation Energy Orders On Ubuntu17.10.2 With Openmpi
0 609 Apr 6th 9:05 pm
Xiongyan21
Classical MD prepare not finding default force-field directories?
0 534 Apr 5th 9:44 am
Smithmd
sample qmd input from nwchem official page does not work
3 904 Apr 3rd 10:01 am
Edoapra
Problems running NWChem 6.5
2 828 Apr 2nd 7:07 am
Giaccai
Compiling/Running NWChem 6.8.1 over Intel Omni-Path and NVidia P100 offload
0 29627 Apr 1st 1:29 am
Jskennyu
Incorrect Orbital Plot
1 907 Mar 23rd 11:40 pm
Yzhang
theory not specified dplot
2 1206 Mar 22nd 10:18 am
Ac287
PBC geometry definition
0 724 Mar 21st 8:26 am
Augolotti
Is it possible to add pressure in qmd simulation?
0 619 Mar 15th 8:04 pm
Liuwanqi
Trouble with negative frequencies
14 2496 Mar 14th 3:01 am
Sparks
TCE - DIIS
0 736 Mar 9th 11:16 am
Masterluke
Using python within nwchem to scan the geometry
6 2452 Mar 8th 2:46 am
Rpsahu151
Cannot allocate memory
2 1019 Mar 7th 10:53 am
Kyle
ccsd(t) problem
6 1573 Mar 4th 4:55 pm
Xiongyan21
TDDFT QMD with initial coordinates and velocities from different software
4 1126 Feb 28th 6:50 pm
Edoapra
TCE restart on BlueGene/Q
10 1303 Feb 25th 7:18 pm
Xiongyan21
Visualization of Electric Field/Electron Density Calculations and other questions
0 888 Feb 23rd 1:00 pm
Philly
CCSD 2emet 9 returns error
5 1521 Feb 22nd 8:14 pm
Xiongyan21
CCSD(T) OpenMP Threads
4 1849 Feb 22nd 4:15 pm
Jhammond
TCE CCSD(T) fail when MCDRAM is cache mode
1 956 Feb 22nd 12:51 pm
Jhammond

Forum >> NWChem's corner >> Running NWChem
Jump to page 1Prev 25891011121314Next 25Last