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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 2243 Dec 14th 2:51 pm
Edoapra

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RT-TDDFT excitation on fragments
Started By : Chemicalcraig
0 20 Mar 16th 1:49 am
Chemicalcraig
Translate and rotate options in the prepare module
Started By : Bb2n18
0 8 Mar 13th 5:29 am
Bb2n18
.hess file - mass-weighted? units?
Started By : Kwaldner
0 9 Mar 4th 2:29 pm
Kwaldner
LR-TDDFT of excited state
Started By : Daishudaishu
3 176 Feb 5th 9:29 am
Sean
Planewave codes: Abinit vs NWChem?
Started By : Mdsimulationgroup
0 60 Jan 22nd 8:05 am
Mdsimulationgroup
Electronic Density - RT-TDDFT vs TDDFT
Started By : Mdsimulationgroup
1 134 Dec 10th 6:39 am
Mdsimulationgroup
QMD analysis code
Started By : Laiad
3 324 Nov 9th 9:17 am
Laiad
ZORA in nwchem
Started By : Guest -
5 4042 Oct 19th 10:43 am
Sassy
water Absorption ex
Started By : Fatemeh
0 228 Sep 2nd 12:13 pm
Fatemeh
nw_rtparse.py
Started By : Fatemeh
1 213 Sep 2nd 5:35 am
Fatemeh
How to get the electronic coupling between two triplet state structures (energy transfer)
Started By : Jtrkiller2018
1 279 Aug 30th 5:34 am
Jtrkiller2018
Which input making software can create internals?
Started By : Xiongyan21
0 215 Aug 21st 8:52 pm
Xiongyan21
rt-TDDFT and OCCUP
Started By : Andreas
8 7772 Aug 20th 6:12 am
Xiongyan21
Generate .cosmo files
Started By : Julen
0 219 Aug 16th 12:03 pm
Julen
Errors in using qmd_analysis tool
Started By : Water127
2 252 Aug 14th 9:32 pm
Water127
occup structure
Started By : Fatemeh
1 264 Jul 29th 5:24 am
Fatemeh
Simple dimer DFT calculation with diffuse basis set
Started By : Orestis
2 307 Jul 7th 8:06 am
Orestis
Large input file for benchmarking on GPU node
Started By : Prasanthi
1 239 Jul 5th 5:04 am
Rangsiman
DOS for eg and t2g
Started By : Devinl
0 244 Jun 20th 2:09 pm
Devinl
Converting 1D matrix to square hessian matrix
Started By : Kwaldner
0 239 Jun 18th 6:44 pm
Kwaldner
wB97XD functional not available yet??
Started By : Rajesh444
0 275 Jun 14th 11:16 am
Rajesh444
question about multiplicity
Started By : Kwaldner
4 321 Jun 8th 12:09 pm
Kwaldner
How to plot the excitation and emission spectra from output
Started By : Kullboys
0 244 Jun 5th 12:21 am
Kullboys
Excited state NMR
Started By : Chemicalcraig
0 393 May 24th 2:19 pm
Chemicalcraig
task tce optimize
Started By : Jank
1 752 May 17th 10:31 am
Mizuchi

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