General Topics

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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
Which input making software can create internals?
1 859 May 6th 11:33 pm
Xiongyan21
RT-TDDFT excitation on fragments
0 498 Mar 16th 1:49 am
Chemicalcraig
Translate and rotate options in the prepare module
0 407 Mar 13th 5:29 am
Bb2n18
.hess file - mass-weighted? units?
0 185 Mar 4th 2:29 pm
Kwaldner
Planewave codes: Abinit vs NWChem?
0 533 Jan 22nd 8:05 am
Mdsimulationgroup
Electronic Density - RT-TDDFT vs TDDFT
1 783 Dec 10th 6:39 am
Mdsimulationgroup
ZORA in nwchem
5 4806 Oct 19th 10:43 am
Sassy
water Absorption ex
0 713 Sep 2nd 12:13 pm
Fatemeh
nw_rtparse.py
1 655 Sep 2nd 5:35 am
Fatemeh
rt-TDDFT and OCCUP
8 8762 Aug 20th 6:12 am
Xiongyan21
Generate .cosmo files
0 657 Aug 16th 12:03 pm
Julen
Errors in using qmd_analysis tool
2 803 Aug 14th 9:32 pm
Water127
occup structure
1 671 Jul 29th 5:24 am
Fatemeh
QMD analysis code
5 1172 Jul 9th 4:08 pm
Laiad
Simple dimer DFT calculation with diffuse basis set
2 1092 Jul 7th 8:06 am
Orestis
Large input file for benchmarking on GPU node
1 824 Jul 5th 5:04 am
Rangsiman
DOS for eg and t2g
0 713 Jun 20th 2:09 pm
Devinl
Converting 1D matrix to square hessian matrix
0 647 Jun 18th 6:44 pm
Kwaldner
wB97XD functional not available yet??
0 795 Jun 14th 11:16 am
Rajesh444
question about multiplicity
4 972 Jun 8th 12:09 pm
Kwaldner
How to plot the excitation and emission spectra from output
0 683 Jun 5th 12:21 am
Kullboys
Excited state NMR
0 854 May 24th 2:19 pm
Chemicalcraig
task tce optimize
1 1127 May 17th 10:31 am
Mizuchi
cosmo off
0 633 May 6th 9:00 am
P99
How to download old versions of NWCHEM?
2 868 May 3rd 2:35 pm
Xinyma
DFT with dummy atoms(no charge)
0 844 May 3rd 5:47 am
Neo

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