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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 4116 Jun 7th 3:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 6175 Dec 14th 1:51 pm
Edoapra

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Thread Title Replies Views Last Action
TDDFT: Too small a subspace error?
Started By : Kristina.woods
4 65 Nov 18th 4:17 am
Sean
Meaning of nbf_ao .ne. nmo output during CDFT run?
Started By : Jdhoward
1 137 Nov 5th 10:54 am
Edoapra
CDFT seems hopeless please help.
Started By : Jdhoward
0 47 Nov 4th 4:59 am
Jdhoward
Has NWCHEM implemented analytical gradient in UHF TDDFT?
Started By : Xiongyan21
1 75 Oct 31st 10:34 pm
Xiongyan21
AO overlap for different geometries
Started By : Chemicalcraig
3 1027 Oct 31st 1:43 pm
Dblinger
optimization of a large grahene cluster
Started By : Holyriver6
3 114 Oct 30th 5:35 am
Seebol
Speedup NWChem Calculations
Started By : LonelySpooky
1 77 Oct 28th 1:10 pm
Seebol
QMD analysis code
Started By : Laiad
5 750 Oct 24th 9:41 am
Sean
DFT+U, SOC and exafs in NWPW
Started By : Sergbuto
0 143 Oct 16th 4:07 am
Sergbuto
fon with rodft
Started By : G123
1 222 Sep 23rd 8:48 am
Edoapra
Fail to find targeted root when running tddft geometry optimization
Started By : Kaihong
3 265 Aug 29th 7:33 pm
Kaihong
Global rotation of molecule in NWChem?
Started By : Seebol
0 173 Aug 28th 8:22 am
Seebol
Load Directive Issue
Started By : Leichtal
1 227 Aug 27th 8:37 am
Seebol
How to get the electronic coupling between two triplet state structures (energy transfer)
Started By : Jtrkiller2018
2 691 Aug 5th 9:04 pm
Xiongyan21
Limitxyz for DPLOT
Started By : Kaihong
0 175 Jul 30th 2:12 pm
Kaihong
single scf using DFT
Started By : Holyriver6
0 207 Jul 22nd 4:44 pm
Holyriver6
DIRDYVTST error
Started By : Holyriver6
0 197 Jul 20th 9:53 am
Holyriver6
Question about "actlist"and "fix atom"
Started By : Hong420
1 195 Jul 16th 8:17 am
Edoapra
dft optimization failed
Started By : Kaihong
2 301 Jul 11th 6:18 am
Kaihong
Estimating influence of spin-orbit effects on reaction energy?
Started By : Frizingtemp
1 251 Jul 5th 8:16 pm
Xiongyan21
relaxed density from DHDFT
Started By : G123
0 204 Jun 28th 6:31 am
G123
NWchem output files
Started By : Seebol
0 234 Jun 24th 8:15 am
Seebol
MO Occupations -RTTDDFT
Started By : Fatemeh
2 353 Jun 17th 4:24 am
Matrix2019
Dplot display of HOMO and LUMO
Started By : Bk.ong
6 6429 Jun 12th 2:03 pm
Cong314159
When will the official new version of NWCHEM be released
Started By : Xiongyan21
4 391 May 17th 8:17 pm
Xiongyan21

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