General Topics

From NWChem

General topics related to NWChem
Jump to: navigation, search

Announcement's Replies Views Last Action
Bug in Raman code
Started By : Sean
0 1909 Feb 2nd 6:45 pm
Sean
NWChem 6.6: bug in geometry optimization
Started By : Edoapra
0 1976 Jan 28th 2:50 pm
Edoapra
Sticky: NWChem 6.6 available for download
Started By : Edoapra
0 5478 Oct 20th 4:12 pm
Edoapra

Jump to page 1Prev 253456789Next 25Last
Thread Title Replies Views Last Action
Euler propagator in rt_tddft
Started By : Bikash
2 348 Dec 28th 4:07 pm
Bikash
Magnus propagator rt_tddft
Started By : Bikash
0 180 Dec 28th 3:53 pm
Bikash
Symmetry breaking in ZORA-NMR calculations
Started By : NWfmohri
2 298 Dec 27th 12:30 am
NWfmohri
Singularity in Pulay matrix - what does this error means ?
Started By : Neo
3 216 Dec 23rd 7:34 am
Sean
task tce optimize
Started By : Jank
0 191 Dec 22nd 10:05 am
Jank
degenerate HOMO-LUMO and symmetry
Started By : Jiachen
2 435 Dec 9th 3:50 pm
Jiachen
Vibrational frequencies (comparison with Gaussian 09)
Started By : Vedran Ivanic
0 327 Dec 2nd 7:41 am
Vedran Ivanic
Error message in "dft_3cincor"
Started By : Abende
3 307 Nov 29th 12:41 pm
Edoapra
NMR, ZORA, and SCF convergence
Started By : Wtransue
0 357 Nov 20th 5:57 am
Wtransue
User-friendly softwares for NWChem?
Started By : LonelySpooky
1 531 Nov 18th 10:50 am
Edoapra
AO overlap for different geometries
Started By : Chemicalcraig
2 347 Nov 8th 11:27 am
Chemicalcraig
Hyperfine structure
Started By : Jacques
0 324 Oct 25th 9:25 am
Jacques
ZORA & Memory/Hard Disk Space Problems
Started By : Wtransue
1 401 Oct 24th 2:46 pm
Edoapra
lines of tension within a nanostructure
Started By : Afdemoura
2 361 Sep 12th 7:39 am
Afdemoura
theory vs sptheory
Started By : Bjhanson
3 284 Sep 7th 3:25 pm
Bjhanson
NMR using TPSS and TPSSh with ZORA
Started By : Danielreta
1 324 Sep 6th 8:47 am
Sean
Static electric fields
Started By : Cgladue
1 463 Sep 2nd 8:57 am
Cgladue
Pipek-Mezey localization output is not documented
Started By : Den59
4 346 Aug 30th 11:57 am
Den59
How to use semiempirical methods?
Started By : Daniel Alher
0 303 Aug 29th 10:39 pm
Daniel Alher
Access DFT solution coefficients for LCAO from python
Started By : Den59
9 537 Aug 29th 1:34 pm
Den59
How to deduce "phase factor" or "fermion sign"?
Started By : Frank
0 250 Aug 23rd 7:32 am
Frank
Slow Frequency Calculations
Started By : D722r894
0 461 Aug 12th 7:51 am
D722r894
Electron density.cube file
Started By : P99
1 619 Jul 27th 7:34 am
Sean
DFT convergence issues
Started By : Manndar22
1 412 Jul 27th 7:30 am
Sean
dft directive help required
Started By : Neo
0 424 Jul 13th 5:54 am
Neo

Forum >> NWChem's corner >> General Topics
Jump to page 1Prev 253456789Next 25Last



Who's here now Members 0 Guests 1 Bots/Crawler 5


AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC