Running NWChem

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

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scf: no. of closed-shell electrons is not even!
4 4778 Nov 24th 7:57 am
Marcindulak
Question on running NWCHem
4 2381 Nov 24th 1:13 am
Guest -
Can NWChem print Fock Matrix corresponding to an input Density Matrix
1 2286 Nov 23rd 9:38 am
Niri
Error?: CAMB3LYP and LC-DFT functionals within the spin-unrestricted TDDFT
2 4093 Nov 22nd 5:44 am
Guest -
Grid for exchange-correlation functionals
2 3441 Nov 19th 1:42 am
Neil
Symmetry fudging and degeneracy
1 3092 Nov 11th 2:29 pm
Bert
How to optimize unit cell and geometry using CAM-B3LYP with periodic boundary conditions?
1 2622 Nov 11th 2:25 pm
Bert
error during calculation of spin-spin coupling
1 2245 Nov 8th 9:52 am
Bert
NWChem 6.0 release - QA test issues
0 1770 Nov 4th 1:49 am
Guest -
file_prefix: insufficient space 30 error.
2 2652 Nov 3rd 4:36 am
Davis68
SCF convergence for post SCF calculations
1 2777 Nov 2nd 3:07 pm
Bert
How to do an unrestrained dft calculation
1 2500 Oct 31st 9:55 am
Guest -
Unresolved atom types in fragment
0 2784 Oct 21st 12:41 pm
Guest -
Hang UP
0 1753 Oct 18th 5:05 am
Jarowski
Optimizing internal coordinates
1 2250 Oct 11th 4:57 pm
Bert
TCE error ival=4 problem
10 3633 Oct 10th 10:51 am
Bert
fatal error in geom_calc_dihedral
1 1890 Oct 5th 1:34 pm
Huub van Dam
basis set for Vanadium
1 2318 Oct 5th 12:52 pm
Bert
6-311g(3d,3p)
0 2251 Sep 19th 4:50 am
PhiJ
NWCHEM_BASIS_LIBRARY not defined in bin/nwdef.csh
4 7223 Sep 15th 9:01 pm
Guest -
basis libraries in nwchem
1 2868 Sep 2nd 3:11 pm
Bert
Convergence of LR-CCSD calculation
2 2225 Aug 23rd 11:24 am
Vvgobre
NWPW Optimization Fail to Converge for a Tutorial Job
3 3588 Aug 19th 4:56 pm
Guest -
ARMCI issues while running
3 3018 Aug 19th 3:21 pm
Bert
Problem of running NWchem6.0
1 2601 Aug 16th 4:55 pm
C00jsh00
Difficulties using the esp module
2 2144 Aug 16th 9:39 am
Guest -

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