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Any kind of feedback: positive, negative, neutral, etc ... For example: I have tried ten times to download the tarball file for NWChem 6.5 and the download never completed in full
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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 1724 Dec 14th 1:51 pm
Edoapra

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Thread Title Replies Views Last Action
Eigenvectors failed to converge in nwChem 6.8
Started By : Agemuend
7 497 Oct 25th 11:29 am
Edoapra
Link to CULGI software package on NWChem website
Started By : Paul
2 109 Oct 2nd 5:10 am
Paul
atom specific integration grid not fully compatible with atom tags
Started By : Marcof
0 193 Jul 27th 4:27 am
Marcof
X + COSMO
Started By : P99
3 377 Feb 20th 2:47 am
Xiongyan21
NWChem 6.8: bug in molden file when symmetry is used
Started By : Zork
1 796 Dec 25th 9:14 am
Edoapra
Bug in density Laplacian calculation in nwdft
Started By : Dmejiar
2 410 Dec 7th 1:39 pm
Dmejiar
availability of 6-311G titanium basis sets on PNNL BSE?
Started By : Alexbalboa
0 564 Nov 14th 9:27 am
Alexbalboa
ccCA reference energy calculation correction
Started By : Drhaney
0 463 Sep 11th 9:25 pm
Drhaney
ccCA code defect
Started By : Drhaney
1 827 Sep 7th 9:23 am
Edoapra
ESP (Electrostatic Potential in NWChem)
Started By : Matrix2017
1 858 Jul 18th 1:17 pm
Matrix2017
Basis Set Exchange website can't be opened
Started By : Anyeyu
2 492 Jun 28th 7:51 am
Anyeyu
about wcut in nwpw_input?
Started By : Kwaldner
2 958 Feb 26th 4:55 am
Kwaldner
PSPW code seems to be completely broken
Started By : Yesint
7 984 Feb 24th 1:23 am
Yesint
rt-tdft example: Water TD-PBE0 resonant excitation
Started By : Mouse
1 1032 Sep 29th 1:22 pm
Niri
use maintenance versions (6.6.1, 6.6.2) for critical patches
Started By : Den59
1 1201 Aug 24th 12:52 pm
Den59
QMD Properties
Started By : Fteixeira
2 1314 Jul 12th 6:04 am
Fteixeira
Need help for MP2 calculation
Started By : Sujala
3 1597 Jul 11th 9:14 am
Sujala
radial densiity
Started By : Anand bharadvaja
0 1115 Jun 1st 10:15 pm
Anand bharadvaja
Typo on Band Structure Paths on user's manual
Started By : Jud11
0 1252 Mar 7th 9:37 pm
Jud11
total dft energy differs from partial energies
Started By : Stanos4
4 2152 Feb 26th 1:05 pm
Sean
Bug in Raman code
Started By : Sean
0 2940 Feb 2nd 5:45 pm
Sean
NWChem 6.6: bug in geometry optimization
Started By : Edoapra
5 2907 Jan 28th 1:50 pm
Edoapra
TDDFT excited state gradients and optimizations - labels of roots when using symmetry
Started By : Rocfo
0 1351 Jan 28th 4:33 am
Rocfo
N-N Bond Fragmentation
Started By : Iromkingman
0 1256 Jan 19th 2:13 pm
Iromkingman
implementation of 1e- and 2e-integrals
Started By : Masoud
1 1245 Jan 13th 1:56 pm
Mernst

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