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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
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9996
Jun 7th 4:53 pm
Edoapra
Locked Sticky:
NWChem 7.0.0 available for dowload
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12333
Dec 14th 2:51 pm
Edoapra
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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
1640
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
1823
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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