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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 1109 Dec 14th 2:51 pm
Edoapra

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QMD analysis code
Started By : Laiad
1 39 Jul 10th 4:46 am
Sean
Simple dimer DFT calculation with diffuse basis set
Started By : Orestis
2 62 Jul 7th 8:06 am
Orestis
Large input file for benchmarking on GPU node
Started By : Prasanthi
1 31 Jul 5th 5:04 am
Rangsiman
DOS for eg and t2g
Started By : Devinl
0 48 Jun 20th 2:09 pm
Devinl
Converting 1D matrix to square hessian matrix
Started By : Kwaldner
0 53 Jun 18th 6:44 pm
Kwaldner
wB97XD functional not available yet??
Started By : Rajesh444
0 54 Jun 14th 11:16 am
Rajesh444
question about multiplicity
Started By : Kwaldner
4 80 Jun 8th 12:09 pm
Kwaldner
How to plot the excitation and emission spectra from output
Started By : Kullboys
0 53 Jun 5th 12:21 am
Kullboys
Excited state NMR
Started By : Chemicalcraig
0 66 May 24th 2:19 pm
Chemicalcraig
task tce optimize
Started By : Jank
1 507 May 17th 10:31 am
Mizuchi
cosmo off
Started By : P99
0 56 May 6th 9:00 am
P99
How to download old versions of NWCHEM?
Started By : Xinyma
2 130 May 3rd 2:35 pm
Xinyma
DFT with dummy atoms(no charge)
Started By : Neo
0 99 May 3rd 5:47 am
Neo
Problem restarting a TDDFT calculation using VEM implicit solvent
Started By : Lrdev
2 141 Apr 30th 9:22 am
Lrdev
How to do Mulliken Population Analysis with MP2?
Started By : Xinyma
2 123 Apr 22nd 3:22 pm
Xinyma
Memory issues with ANO-RCC basis
Started By : EmilioMac
2 179 Apr 20th 9:52 am
EmilioMac
ANO-RCC basis set for Yb
Started By : EmilioMac
3 233 Apr 4th 7:30 am
EmilioMac
DFT benchmark
Started By : Marcof
0 180 Apr 3rd 3:35 am
Marcof
SODFT collinear or non-collinear xc contribution?
Started By : Jacques D
2 169 Mar 21st 2:47 am
Jacques D
Oscillating energy in DFT; system does not converge
Started By : Ankit
0 192 Mar 8th 1:19 am
Ankit
RI-MP2 tutorial
Started By : P99
0 166 Feb 28th 10:50 pm
P99
Number of electrons from Molden
Started By : Bikash
8 231 Feb 24th 5:47 am
Bikash
SCF convergence problems
Started By : Anindya.mitra
2 199 Feb 21st 4:29 pm
Edoapra
esp ABS deviation %
Started By : P99
0 149 Feb 16th 12:31 am
P99
QA/doqmtests.mpi failures
Started By : Jasno
2 182 Feb 8th 2:42 am
Jasno

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