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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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
rt-TDDFT and OCCUP
8 8762 Aug 20th 6:12 am
Xiongyan21
Generate .cosmo files
0 657 Aug 16th 12:03 pm
Julen
Errors in using qmd_analysis tool
2 803 Aug 14th 9:32 pm
Water127
occup structure
1 671 Jul 29th 5:24 am
Fatemeh
QMD analysis code
5 1172 Jul 9th 4:08 pm
Laiad
Simple dimer DFT calculation with diffuse basis set
2 1092 Jul 7th 8:06 am
Orestis
Large input file for benchmarking on GPU node
1 824 Jul 5th 5:04 am
Rangsiman

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