NWChem functionality

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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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Raman Intensity String Length
1 856 Jun 14th 4:13 am
Sean
Screened Range-Separated Hybrid Functional
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Leahbd
ESP module
8 3895 May 14th 12:13 am
Tanghao
Does NWChem support DFT and CDFT to run in rarallel using OpenMP ?
1 805 May 7th 9:22 am
Edoapra
Molecular (hyper)polarizability
2 1494 May 4th 5:53 pm
Xiongyan21
Grid specification for dummy atoms
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Neo
4c integrals
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mepgs and MCSCF
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Tunell
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Molekel and Nwchem Ouput
5 3600 Feb 7th 10:53 am
Edoapra
Raman plot point number
6 1108 Feb 1st 10:41 am
Edoapra
M06-2x and DISP v.4
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Edoapra
Temperature Accelerated Molecular Dynamics
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cvr_scaling and torsional angle
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7 3363 Oct 26th 6:36 am
P.partovi
alpha, beta and omega in LC-wPBEh functional
0 710 Oct 18th 12:25 pm
Sthomas
Feature request: write entropy to RTDB
2 1025 Aug 9th 7:43 pm
Drhaney
VSCF - cubic and quartic anharmonicities
2 851 Jul 24th 5:39 am
Nicole
uniform background charge in plane-wave calculations?
0 1016 May 23rd 10:52 am
Kwaldner
Is it possible to calculate excited state of molecule by using Constrained TD-DFT ?
0 957 May 2nd 8:08 am
Rangsiman
NBOFILE with CCSD(T)
0 910 Mar 7th 7:01 pm
Dudektria
Problem with optimization
3 2642 Mar 3rd 5:55 am
Dudektria
problem with initial_path in neb calculation
2 1607 Feb 13th 5:31 am
Dudektria

Forum >> NWChem's corner >> NWChem functionality
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