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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 4799 Jun 7th 3:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 6893 Dec 14th 1:51 pm
Edoapra

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`Compilation faied for nwchem-6.3.revision2-src.2013-10-17 with undefined reference
Started By : Sri4mailing
12 2479 Sep 2nd 7:13 pm
Sri4mailing
Using Fragment Guess to get coupling between MOs?
Started By : Cmjohns6
0 1551 Sep 1st 12:18 pm
Cmjohns6
ERROR installing nwchem 6.3 on RHEL !!!
Started By : Neo
1 1579 Aug 26th 7:30 am
Neo
Geometry optimizations that won't converge
Started By : Kpelzer
5 1624 Aug 25th 9:24 am
Kpelzer
Vectors for further analysis
Started By : Vojtech.vlcek
0 1101 Aug 24th 9:32 am
Vojtech.vlcek
Problem with DIRDYVTST calculation
Started By : Rana
6 2308 Aug 23rd 6:25 am
Rana
Link NBO to NWCHEM 6.3
Started By : Nazari
0 1440 Aug 16th 8:22 pm
Nazari
SCF convergence failure
Started By : Chun-hung.wang
0 1335 Aug 12th 2:38 pm
Chun-hung.wang
QA tests failing
Started By : Eberrios
4 2108 Aug 12th 11:10 am
Eberrios
Difference between ESP from task property and task esp
Started By : Mime
0 1161 Aug 11th 5:12 am
Mime
Hamiltonian Matrix Elements and Overlap Matrix Elements
Started By : Cmjohns6
0 1523 Aug 9th 2:15 pm
Cmjohns6
About NBO-6.0
Started By : Rintontin
0 1786 Jul 31st 5:21 pm
Rintontin
Why does nwchem give different results from Molpro does?
Started By : Zfang
9 3432 Jul 31st 1:08 pm
Zfang
error in installing
Started By : Lovi
6 1786 Jul 27th 1:25 pm
Mernst
DPlot: movecs_read_header failed
Started By : Aggie2015
2 2598 Jul 23rd 8:50 am
Aggie2015
What is xc hfexch ?
Started By : Nazarov
0 1345 Jul 13th 8:59 pm
Nazarov
rodft, frequency calculation
Started By : Sujitha
5 2809 Jul 10th 8:53 am
Edoapra
MP2 density in gaussian cube format
Started By : Kgk
4 2517 Jul 7th 11:55 pm
Kgk
How to make geometry optimization calculation faster
Started By : Chun-hung.wang
2 3269 Jul 5th 8:50 pm
Chun-hung.wang
Convergence issues with DFT
Started By : Moretto
2 1992 Jul 3rd 12:21 am
Moretto
Reproducibility issue with SODFT
Started By : Faycal
3 2134 Jun 22nd 1:09 am
Mernst
excited state electron densities from RT TDDFT
Started By : Perkinsj
0 1398 Jun 10th 8:30 am
Perkinsj
How to calculate electron transfer matrix element Vrp?
Started By : Broken1999
0 1505 Jun 4th 11:17 pm
Broken1999
nwchem ESP: RMSD KJ/mol and % RMSD:
Started By : Cmjohns6
0 1334 Jun 3rd 12:55 pm
Cmjohns6
band structure
Started By : Makhyoun
3 2275 Jun 2nd 8:56 am
Jcgolden

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