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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 438 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 2794 Dec 14th 2:51 pm
Edoapra

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NWchem output files
Started By : Seebol
0 19 Jun 24th 9:15 am
Seebol
MO Occupations -RTTDDFT
Started By : Fatemeh
2 130 Jun 17th 5:24 am
Matrix2019
Dplot display of HOMO and LUMO
Started By : Bk.ong
6 5830 Jun 12th 3:03 pm
Cong314159
When will the official new version of NWCHEM be released
Started By : Xiongyan21
3 109 Jun 6th 3:47 pm
Xiongyan21
CHARMM in nwchem 6.8
Started By : Mspichty
0 84 May 10th 2:42 am
Mspichty
Which input making software can create internals?
Started By : Xiongyan21
1 356 May 6th 11:33 pm
Xiongyan21
RT-TDDFT excitation on fragments
Started By : Chemicalcraig
0 144 Mar 16th 1:49 am
Chemicalcraig
Translate and rotate options in the prepare module
Started By : Bb2n18
0 91 Mar 13th 5:29 am
Bb2n18
.hess file - mass-weighted? units?
Started By : Kwaldner
0 25 Mar 4th 2:29 pm
Kwaldner
LR-TDDFT of excited state
Started By : Daishudaishu
3 311 Feb 5th 9:29 am
Sean
Planewave codes: Abinit vs NWChem?
Started By : Mdsimulationgroup
0 173 Jan 22nd 8:05 am
Mdsimulationgroup
Electronic Density - RT-TDDFT vs TDDFT
Started By : Mdsimulationgroup
1 257 Dec 10th 6:39 am
Mdsimulationgroup
QMD analysis code
Started By : Laiad
3 454 Nov 9th 9:17 am
Laiad
ZORA in nwchem
Started By : Guest -
5 4190 Oct 19th 10:43 am
Sassy
water Absorption ex
Started By : Fatemeh
0 332 Sep 2nd 12:13 pm
Fatemeh
nw_rtparse.py
Started By : Fatemeh
1 331 Sep 2nd 5:35 am
Fatemeh
How to get the electronic coupling between two triplet state structures (energy transfer)
Started By : Jtrkiller2018
1 407 Aug 30th 5:34 am
Jtrkiller2018
rt-TDDFT and OCCUP
Started By : Andreas
8 7947 Aug 20th 6:12 am
Xiongyan21
Generate .cosmo files
Started By : Julen
0 337 Aug 16th 12:03 pm
Julen
Errors in using qmd_analysis tool
Started By : Water127
2 352 Aug 14th 9:32 pm
Water127
occup structure
Started By : Fatemeh
1 375 Jul 29th 5:24 am
Fatemeh
Simple dimer DFT calculation with diffuse basis set
Started By : Orestis
2 449 Jul 7th 8:06 am
Orestis
Large input file for benchmarking on GPU node
Started By : Prasanthi
1 379 Jul 5th 5:04 am
Rangsiman
DOS for eg and t2g
Started By : Devinl
0 350 Jun 20th 2:09 pm
Devinl
Converting 1D matrix to square hessian matrix
Started By : Kwaldner
0 345 Jun 18th 6:44 pm
Kwaldner

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