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NWChem 6.5 has been released
Started By : Karol
0 5269 Sep 15th 11:02 am
Karol
Locked Sticky: Anonymous posting on the NWChem forum has been disabled. Please create an account before posting.
Started By : Bert
0 7669 Feb 2nd 7:13 pm
Bert

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APPLICATION TERMINATED WITH THE EXIT STRING....
Started By : Mhiranya
1 845 Apr 8th 7:11 pm
Huub
Understanding Numerical Gradients with TD-DFT
Started By : Pvallett
1 653 Apr 8th 6:39 pm
Huub
RESP example??
Started By : Grad
1 850 Apr 8th 6:31 pm
Huub
HOMO-LUMO gap in Aun
Started By : Alfcanova
1 682 Apr 8th 6:27 pm
Huub
run frozen or is it normal
Started By : Elvis
1 396 Apr 8th 6:05 pm
Huub
SARC-ZORA @ nwchem 6.0
Started By : Elvis
1 508 Apr 8th 5:59 pm
Huub
how to put a charge in a certain atom
Started By : Tfliu
1 347 Apr 8th 5:37 pm
Huub
failed convergance for a single atom
Started By : Alexx
1 561 Apr 8th 5:27 pm
Huub
molecular orbitals
Started By : Sujitha
3 514 Apr 4th 1:36 pm
Sujitha
Numerical result out of range
Started By : Aggie2015
0 637 Mar 27th 1:20 pm
Aggie2015
NWCHEMRATE
Started By : Manu nwchem
0 455 Mar 25th 1:14 pm
Manu nwchem
NWChem 6.3 GPU support
Started By : Jwkeller
1 694 Mar 24th 12:32 pm
Edoapra
Cannot post to ECCE forum
Started By : WillEverett
1 369 Mar 19th 12:17 pm
WillEverett
All-Electron calculation for Gold
Started By : Elvis
2 691 Mar 19th 12:52 am
Elvis
dummy charge for help
Started By : Tfliu
1 391 Mar 18th 5:23 pm
Tfliu
ET model for help
Started By : Tfliu
5 530 Mar 17th 5:06 pm
Tfliu
run spherical atom with evenly distributed valence electron
Started By : Alexx
1 799 Mar 14th 2:07 pm
Edoapra
CCSD(T) error
Started By : Manu nwchem
2 457 Mar 14th 9:53 am
Edoapra
dft optimization failed
Started By : Mhiranya
1 527 Mar 12th 10:08 am
Mhiranya
unknown field hyperbolic
Started By : Grad
2 364 Mar 12th 6:29 am
Grad
mult value calculation for the DFT-NEB calculation
Started By : Sanjib
3 854 Mar 10th 5:01 pm
MattZ
calculation of electronic coupling for help
Started By : Tfliu
2 580 Mar 7th 12:17 am
Tfliu
Please suggest Ultrasoft Pseudopotential for Cerium
Started By : Harsh Somani
0 419 Mar 6th 3:39 am
Harsh Somani
Are these definitions correct for the functionals I am trying to define?
Started By : Beulahsu
7 3832 Mar 4th 12:15 am
Ohlincha
NWChem Example
Started By : Hong420
1 974 Feb 21st 2:20 pm
Philip007

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