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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 1002 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 3120 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
Question about "actlist"and "fix atom"
Started By : Hong420
1 15 Jul 16th 9:17 am
Edoapra
dft optimization failed
Started By : Kaihong
2 88 Jul 11th 7:18 am
Kaihong
Estimating influence of spin-orbit effects on reaction energy?
Started By : Frizingtemp
1 97 Jul 5th 9:16 pm
Xiongyan21
relaxed density from DHDFT
Started By : G123
0 51 Jun 28th 7:31 am
G123
NWchem output files
Started By : Seebol
0 78 Jun 24th 9:15 am
Seebol
MO Occupations -RTTDDFT
Started By : Fatemeh
2 176 Jun 17th 5:24 am
Matrix2019
Dplot display of HOMO and LUMO
Started By : Bk.ong
6 5922 Jun 12th 3:03 pm
Cong314159
When will the official new version of NWCHEM be released
Started By : Xiongyan21
3 154 Jun 6th 3:47 pm
Xiongyan21
CHARMM in nwchem 6.8
Started By : Mspichty
0 116 May 10th 2:42 am
Mspichty
Which input making software can create internals?
Started By : Xiongyan21
1 397 May 6th 11:33 pm
Xiongyan21
RT-TDDFT excitation on fragments
Started By : Chemicalcraig
0 176 Mar 16th 1:49 am
Chemicalcraig
Translate and rotate options in the prepare module
Started By : Bb2n18
0 119 Mar 13th 5:29 am
Bb2n18
.hess file - mass-weighted? units?
Started By : Kwaldner
0 34 Mar 4th 2:29 pm
Kwaldner
LR-TDDFT of excited state
Started By : Daishudaishu
3 342 Feb 5th 9:29 am
Sean
Planewave codes: Abinit vs NWChem?
Started By : Mdsimulationgroup
0 206 Jan 22nd 8:05 am
Mdsimulationgroup
Electronic Density - RT-TDDFT vs TDDFT
Started By : Mdsimulationgroup
1 284 Dec 10th 6:39 am
Mdsimulationgroup
QMD analysis code
Started By : Laiad
3 477 Nov 9th 9:17 am
Laiad
ZORA in nwchem
Started By : Guest -
5 4226 Oct 19th 10:43 am
Sassy
water Absorption ex
Started By : Fatemeh
0 382 Sep 2nd 12:13 pm
Fatemeh
nw_rtparse.py
Started By : Fatemeh
1 356 Sep 2nd 5:35 am
Fatemeh
How to get the electronic coupling between two triplet state structures (energy transfer)
Started By : Jtrkiller2018
1 430 Aug 30th 5:34 am
Jtrkiller2018
rt-TDDFT and OCCUP
Started By : Andreas
8 7987 Aug 20th 6:12 am
Xiongyan21
Generate .cosmo files
Started By : Julen
0 360 Aug 16th 12:03 pm
Julen
Errors in using qmd_analysis tool
Started By : Water127
2 380 Aug 14th 9:32 pm
Water127
occup structure
Started By : Fatemeh
1 401 Jul 29th 5:24 am
Fatemeh

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