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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
0 9997 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
0 12336 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
Confused about someting in the cdft_newt subroutine
0 1062 Nov 4th 3:37 pm
Jdhoward
Link to CULGI software package on NWChem website
2 932 Oct 2nd 6:10 am
Paul
atom specific integration grid not fully compatible with atom tags
0 952 Jul 27th 5:27 am
Marcof
Eigenvectors failed to converge in nwChem 6.8
7 2216 May 24th 3:07 am
Agemuend
X + COSMO
3 1235 Feb 20th 3:47 am
Xiongyan21
NWChem 6.8: bug in molden file when symmetry is used
1 1747 Dec 25th 10:14 am
Edoapra
Bug in density Laplacian calculation in nwdft
2 1188 Dec 7th 2:39 pm
Dmejiar
availability of 6-311G titanium basis sets on PNNL BSE?
0 1371 Nov 14th 10:27 am
Alexbalboa
ccCA reference energy calculation correction
0 1208 Sep 11th 10:25 pm
Drhaney
ccCA code defect
1 1641 Sep 7th 10:23 am
Edoapra
ESP (Electrostatic Potential in NWChem)
1 1934 Jul 18th 2:17 pm
Matrix2017
Basis Set Exchange website can't be opened
2 1358 Jun 28th 8:51 am
Anyeyu
about wcut in nwpw_input?
2 1824 Feb 26th 5:55 am
Kwaldner
PSPW code seems to be completely broken
7 1853 Feb 24th 2:23 am
Yesint
rt-tdft example: Water TD-PBE0 resonant excitation
1 1860 Sep 29th 2:22 pm
Niri
use maintenance versions (6.6.1, 6.6.2) for critical patches
1 2033 Aug 24th 1:52 pm
Den59
QMD Properties
2 2112 Jul 12th 7:04 am
Fteixeira
Need help for MP2 calculation
3 2557 Jul 11th 10:14 am
Sujala
radial densiity
0 1822 Jun 1st 11:15 pm
Anand bharadvaja
Typo on Band Structure Paths on user's manual
0 1931 Mar 7th 10:37 pm
Jud11
total dft energy differs from partial energies
4 3510 Feb 26th 2:05 pm
Sean
Bug in Raman code
0 3954 Feb 2nd 6:45 pm
Sean
NWChem 6.6: bug in geometry optimization
5 4008 Jan 28th 2:50 pm
Edoapra
TDDFT excited state gradients and optimizations - labels of roots when using symmetry
0 2137 Jan 28th 5:33 am
Rocfo
N-N Bond Fragmentation
0 1948 Jan 19th 3:13 pm
Iromkingman

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