General Topics

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Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups
0 1715 Jun 18th 5:01 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
0 13620 Dec 14th 2:51 pm
Edoapra

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locking the desired MO configuration
2 2146 Aug 26th 10:41 am
Shahabnaghavi
Gaussian basis functions used in NWChem
1 2247 Aug 26th 10:01 am
Huub
Output of matrices: format and file
0 1847 Aug 20th 11:59 pm
Bob79
About SARC-ZORA basis set
0 2349 Aug 20th 10:20 am
Alexx
Error in NEB calculation (release 6.3)
2 2061 Aug 20th 8:24 am
Mahbub03
Understanding Gaussian Cube file output by NWChem
3 2907 Aug 19th 3:47 pm
Edoapra
moments in MP2
0 1612 Aug 18th 3:14 am
P99
Examples/tutorial for TD-DFT?
2 2634 Aug 15th 10:14 am
Kpelzer
higher than CCSD(T) ?
0 1917 Aug 15th 2:11 am
P99
Regarding timings
8 1802 Aug 14th 11:18 pm
Karteek
URL not found
0 1282 Aug 12th 11:10 am
Jbaltrus
Fukui calculation
1 1680 Aug 12th 2:03 am
Inaki
DFT energy component under COSMO model
1 2016 Jul 22nd 3:53 pm
Edoapra
Molecular Orbital Components
1 1954 Jul 22nd 3:26 pm
Edoapra
Job Stopped
15 2746 Jul 21st 3:23 pm
Grad
more significant digits
2 2165 Jul 17th 6:47 pm
Jtravers
Problem with ubuntu and NWChem
4 2202 Jul 17th 6:10 pm
Hong420
Possible Bug in NWCHEM: TD-B97
6 3319 Jul 10th 9:11 am
Bert
CCSD iterations does not converge
11 6374 Jul 10th 9:08 am
Bert
Welcome...
3 2622 Jul 8th 2:34 pm
Niri
Looking for help on electron transfer using CDFT
2 2143 Jul 8th 2:28 pm
Mahbub03
Question about "DRIVER"
2 2078 Jul 8th 3:18 am
Hong420
Convergence Failure-B3LYP-D3 single point calculations for Transition Metal Complexes
4 6654 Jul 5th 7:34 am
Manu nwchem
Conformational Space Travel in NWCHEM
0 1664 Jul 4th 1:47 am
Chenwei
How to compute overlap between two wavefunctions in NWChem
3 3458 Jun 30th 7:13 am
Saba
Development snapshot June 17, 2013
0 1527 Jun 27th 4:26 pm
Mef362

Forum >> NWChem's corner >> General Topics
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