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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 1389 Dec 14th 2:51 pm
Edoapra

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water Absorption ex
Started By : Fatemeh
0 56 Sep 2nd 12:13 pm
Fatemeh
nw_rtparse.py
Started By : Fatemeh
0 38 Sep 2nd 5:35 am
Fatemeh
How to get the electronic coupling between two triplet state structures (energy transfer)
Started By : Jtrkiller2018
1 79 Sep 1st 8:42 pm
Xiongyan21
Which input making software can create natural or Hilderbrant internals?
Started By : Xiongyan21
0 63 Aug 21st 8:52 pm
Xiongyan21
rt-TDDFT and OCCUP
Started By : Andreas
8 7402 Aug 20th 6:12 am
Xiongyan21
Generate .cosmo files
Started By : Julen
0 69 Aug 16th 12:03 pm
Julen
Errors in using qmd_analysis tool
Started By : Water127
2 81 Aug 14th 9:32 pm
Water127
QMD analysis code
Started By : Laiad
2 118 Aug 14th 5:02 am
Sean
occup structure
Started By : Fatemeh
1 104 Jul 29th 5:24 am
Fatemeh
Simple dimer DFT calculation with diffuse basis set
Started By : Orestis
2 127 Jul 7th 8:06 am
Orestis
Large input file for benchmarking on GPU node
Started By : Prasanthi
1 76 Jul 5th 5:04 am
Rangsiman
DOS for eg and t2g
Started By : Devinl
0 96 Jun 20th 2:09 pm
Devinl
Converting 1D matrix to square hessian matrix
Started By : Kwaldner
0 91 Jun 18th 6:44 pm
Kwaldner
wB97XD functional not available yet??
Started By : Rajesh444
0 108 Jun 14th 11:16 am
Rajesh444
question about multiplicity
Started By : Kwaldner
4 142 Jun 8th 12:09 pm
Kwaldner
How to plot the excitation and emission spectra from output
Started By : Kullboys
0 100 Jun 5th 12:21 am
Kullboys
Excited state NMR
Started By : Chemicalcraig
0 123 May 24th 2:19 pm
Chemicalcraig
task tce optimize
Started By : Jank
1 594 May 17th 10:31 am
Mizuchi
cosmo off
Started By : P99
0 104 May 6th 9:00 am
P99
How to download old versions of NWCHEM?
Started By : Xinyma
2 195 May 3rd 2:35 pm
Xinyma
DFT with dummy atoms(no charge)
Started By : Neo
0 188 May 3rd 5:47 am
Neo
Problem restarting a TDDFT calculation using VEM implicit solvent
Started By : Lrdev
2 206 Apr 30th 9:22 am
Lrdev
How to do Mulliken Population Analysis with MP2?
Started By : Xinyma
2 190 Apr 22nd 3:22 pm
Xinyma
Memory issues with ANO-RCC basis
Started By : EmilioMac
2 265 Apr 20th 9:52 am
EmilioMac
ANO-RCC basis set for Yb
Started By : EmilioMac
3 293 Apr 4th 7:30 am
EmilioMac

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