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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 1787 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 3850 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
Load Directive Issue
Started By : Leichtal
0 36 Aug 13th 2:16 pm
Leichtal
How to get the electronic coupling between two triplet state structures (energy transfer)
Started By : Jtrkiller2018
2 520 Aug 5th 10:04 pm
Xiongyan21
Limitxyz for DPLOT
Started By : Kaihong
0 58 Jul 30th 3:12 pm
Kaihong
single scf using DFT
Started By : Holyriver6
0 87 Jul 22nd 5:44 pm
Holyriver6
DIRDYVTST error
Started By : Holyriver6
0 74 Jul 20th 10:53 am
Holyriver6
Question about "actlist"and "fix atom"
Started By : Hong420
1 86 Jul 16th 9:17 am
Edoapra
dft optimization failed
Started By : Kaihong
2 160 Jul 11th 7:18 am
Kaihong
Estimating influence of spin-orbit effects on reaction energy?
Started By : Frizingtemp
1 151 Jul 5th 9:16 pm
Xiongyan21
relaxed density from DHDFT
Started By : G123
0 99 Jun 28th 7:31 am
G123
NWchem output files
Started By : Seebol
0 129 Jun 24th 9:15 am
Seebol
MO Occupations -RTTDDFT
Started By : Fatemeh
2 220 Jun 17th 5:24 am
Matrix2019
Dplot display of HOMO and LUMO
Started By : Bk.ong
6 6061 Jun 12th 3:03 pm
Cong314159
When will the official new version of NWCHEM be released
Started By : Xiongyan21
4 248 May 17th 9:17 pm
Xiongyan21
CHARMM in nwchem 6.8
Started By : Mspichty
0 146 May 10th 2:42 am
Mspichty
Which input making software can create internals?
Started By : Xiongyan21
1 422 May 6th 11:33 pm
Xiongyan21
RT-TDDFT excitation on fragments
Started By : Chemicalcraig
0 200 Mar 16th 1:49 am
Chemicalcraig
Translate and rotate options in the prepare module
Started By : Bb2n18
0 145 Mar 13th 5:29 am
Bb2n18
.hess file - mass-weighted? units?
Started By : Kwaldner
0 44 Mar 4th 2:29 pm
Kwaldner
LR-TDDFT of excited state
Started By : Daishudaishu
3 385 Feb 5th 9:29 am
Sean
Planewave codes: Abinit vs NWChem?
Started By : Mdsimulationgroup
0 226 Jan 22nd 8:05 am
Mdsimulationgroup
Electronic Density - RT-TDDFT vs TDDFT
Started By : Mdsimulationgroup
1 310 Dec 10th 6:39 am
Mdsimulationgroup
QMD analysis code
Started By : Laiad
3 520 Nov 9th 9:17 am
Laiad
ZORA in nwchem
Started By : Guest -
5 4267 Oct 19th 10:43 am
Sassy
water Absorption ex
Started By : Fatemeh
0 422 Sep 2nd 12:13 pm
Fatemeh
nw_rtparse.py
Started By : Fatemeh
1 381 Sep 2nd 5:35 am
Fatemeh

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