| Thread Title |
Replies |
Views |
Last Action |
Cannot post to ECCE forum
|
1 |
1265 |
Mar 19th 12:17 pm
WillEverett |
All-Electron calculation for Gold
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2 |
2562 |
Mar 19th 12:52 am
Elvis |
dummy charge for help
|
1 |
1533 |
Mar 18th 5:23 pm
Tfliu |
ET model for help
|
5 |
1647 |
Mar 17th 5:06 pm
Tfliu |
run spherical atom with evenly distributed valence electron
|
1 |
2231 |
Mar 14th 2:07 pm
Edoapra |
CCSD(T) error
|
2 |
1861 |
Mar 14th 9:53 am
Edoapra |
dft optimization failed
|
1 |
1641 |
Mar 12th 10:08 am
Mhiranya |
unknown field hyperbolic
|
2 |
1501 |
Mar 12th 6:29 am
Grad |
mult value calculation for the DFT-NEB calculation
|
3 |
2847 |
Mar 10th 5:01 pm
MattZ |
calculation of electronic coupling for help
|
2 |
1990 |
Mar 7th 12:17 am
Tfliu |
Please suggest Ultrasoft Pseudopotential for Cerium
|
0 |
1519 |
Mar 6th 3:39 am
Harsh Somani |
NWChem Example
|
1 |
2848 |
Feb 21st 2:20 pm
Philip007 |
CPHF convergence issues
|
0 |
1566 |
Feb 21st 1:51 pm
MSiebert |
DPlot: Failed to allocate values 0
|
2 |
1983 |
Feb 18th 12:28 pm
Philip007 |
unit of energy used in NWChem
|
1 |
1919 |
Feb 18th 10:56 am
Edoapra |
What is the atom_index in Metadynamic block
|
1 |
1106 |
Feb 17th 6:34 pm
Lyzhao |
DPlot: Failed to allocate values 0
|
0 |
1107 |
Feb 17th 3:04 pm
Philip007 |
Homo and Lumo energies
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0 |
1311 |
Feb 16th 12:03 am
Auwalu |
Job not completed..
|
1 |
1588 |
Feb 7th 12:48 pm
Edoapra |
How to calculate the Free energy
|
1 |
2782 |
Feb 2nd 3:55 pm
Mhiranya |
DFT-NEB calculation stops give error
|
0 |
1892 |
Feb 2nd 11:52 am
Sanjib |
How to do transition state calculations using nwchem...
|
2 |
2333 |
Jan 30th 1:49 pm
Mhiranya |
ESP fit and bq charges
|
1 |
1603 |
Jan 30th 8:56 am
Mhiranya |
Kinetic energy from correlated density matrix
|
1 |
1718 |
Jan 24th 11:05 am
Huub |
Convergence problem...
|
7 |
2382 |
Jan 23rd 9:50 pm
Mhiranya |