General Topics


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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
 0 9997 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
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Edoapra

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Global rotation of molecule in NWChem?
 0 378 Aug 28th 9:22 am
Seebol
Load Directive Issue
 1 442 Aug 27th 9:37 am
Seebol
How to get the electronic coupling between two triplet state structures (energy transfer)
 2 944 Aug 5th 10:04 pm
Xiongyan21
Limitxyz for DPLOT
 0 363 Jul 30th 3:12 pm
Kaihong
single scf using DFT
 0 386 Jul 22nd 5:44 pm
Holyriver6
DIRDYVTST error
 0 356 Jul 20th 10:53 am
Holyriver6
Question about "actlist"and "fix atom"
 1 382 Jul 16th 9:17 am
Edoapra
dft optimization failed
 2 622 Jul 11th 7:18 am
Kaihong
Estimating influence of spin-orbit effects on reaction energy?
 1 458 Jul 5th 9:16 pm
Xiongyan21
relaxed density from DHDFT
 0 390 Jun 28th 7:31 am
G123
NWchem output files
 0 505 Jun 24th 9:15 am
Seebol
MO Occupations -RTTDDFT
 2 525 Jun 17th 5:24 am
Matrix2019
Dplot display of HOMO and LUMO
 6 7038 Jun 12th 3:03 pm
Cong314159
When will the official new version of NWCHEM be released
 4 585 May 17th 9:17 pm
Xiongyan21
CHARMM in nwchem 6.8
 0 419 May 10th 2:42 am
Mspichty
Which input making software can create internals?
 1 779 May 6th 11:33 pm
Xiongyan21
RT-TDDFT excitation on fragments
 0 431 Mar 16th 1:49 am
Chemicalcraig
Translate and rotate options in the prepare module
 0 368 Mar 13th 5:29 am
Bb2n18
.hess file - mass-weighted? units?
 0 141 Mar 4th 2:29 pm
Kwaldner
Planewave codes: Abinit vs NWChem?
 0 482 Jan 22nd 8:05 am
Mdsimulationgroup
Electronic Density - RT-TDDFT vs TDDFT
 1 650 Dec 10th 6:39 am
Mdsimulationgroup
ZORA in nwchem
 5 4683 Oct 19th 10:43 am
Sassy
water Absorption ex
 0 647 Sep 2nd 12:13 pm
Fatemeh
nw_rtparse.py
 1 589 Sep 2nd 5:35 am
Fatemeh
rt-TDDFT and OCCUP
 8 8553 Aug 20th 6:12 am
Xiongyan21

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