General Topics

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Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups
0 1715 Jun 18th 5:01 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
0 13620 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
Fail to find targeted root when running tddft geometry optimization
3 536 Aug 29th 8:33 pm
Kaihong
Global rotation of molecule in NWChem?
0 471 Aug 28th 9:22 am
Seebol
Load Directive Issue
1 508 Aug 27th 9:37 am
Seebol
How to get the electronic coupling between two triplet state structures (energy transfer)
2 1016 Aug 5th 10:04 pm
Xiongyan21
Limitxyz for DPLOT
0 432 Jul 30th 3:12 pm
Kaihong
single scf using DFT
0 447 Jul 22nd 5:44 pm
Holyriver6
DIRDYVTST error
0 405 Jul 20th 10:53 am
Holyriver6
Question about "actlist"and "fix atom"
1 458 Jul 16th 9:17 am
Edoapra
dft optimization failed
2 761 Jul 11th 7:18 am
Kaihong
Estimating influence of spin-orbit effects on reaction energy?
1 526 Jul 5th 9:16 pm
Xiongyan21
relaxed density from DHDFT
0 468 Jun 28th 7:31 am
G123
NWchem output files
0 631 Jun 24th 9:15 am
Seebol
MO Occupations -RTTDDFT
2 597 Jun 17th 5:24 am
Matrix2019
Dplot display of HOMO and LUMO
6 7314 Jun 12th 3:03 pm
Cong314159
When will the official new version of NWCHEM be released
4 682 May 17th 9:17 pm
Xiongyan21
CHARMM in nwchem 6.8
0 478 May 10th 2:42 am
Mspichty
Which input making software can create internals?
1 859 May 6th 11:33 pm
Xiongyan21
RT-TDDFT excitation on fragments
0 498 Mar 16th 1:49 am
Chemicalcraig
Translate and rotate options in the prepare module
0 407 Mar 13th 5:29 am
Bb2n18
.hess file - mass-weighted? units?
0 185 Mar 4th 2:29 pm
Kwaldner
Planewave codes: Abinit vs NWChem?
0 533 Jan 22nd 8:05 am
Mdsimulationgroup
Electronic Density - RT-TDDFT vs TDDFT
1 783 Dec 10th 6:39 am
Mdsimulationgroup
ZORA in nwchem
5 4806 Oct 19th 10:43 am
Sassy
water Absorption ex
0 713 Sep 2nd 12:13 pm
Fatemeh
nw_rtparse.py
1 655 Sep 2nd 5:35 am
Fatemeh

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