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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 3318 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 5402 Dec 14th 2:51 pm
Edoapra

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Planewave codes: Abinit vs NWChem?
Started By : Mdsimulationgroup
0 299 Jan 22nd 8:05 am
Mdsimulationgroup
Electronic Density - RT-TDDFT vs TDDFT
Started By : Mdsimulationgroup
1 387 Dec 10th 6:39 am
Mdsimulationgroup
ZORA in nwchem
Started By : Guest -
5 4363 Oct 19th 10:43 am
Sassy
water Absorption ex
Started By : Fatemeh
0 477 Sep 2nd 12:13 pm
Fatemeh
nw_rtparse.py
Started By : Fatemeh
1 436 Sep 2nd 5:35 am
Fatemeh
rt-TDDFT and OCCUP
Started By : Andreas
8 8142 Aug 20th 6:12 am
Xiongyan21
Generate .cosmo files
Started By : Julen
0 435 Aug 16th 12:03 pm
Julen
Errors in using qmd_analysis tool
Started By : Water127
2 470 Aug 14th 9:32 pm
Water127
occup structure
Started By : Fatemeh
1 462 Jul 29th 5:24 am
Fatemeh
Simple dimer DFT calculation with diffuse basis set
Started By : Orestis
2 610 Jul 7th 8:06 am
Orestis
Large input file for benchmarking on GPU node
Started By : Prasanthi
1 486 Jul 5th 5:04 am
Rangsiman
DOS for eg and t2g
Started By : Devinl
0 438 Jun 20th 2:09 pm
Devinl
Converting 1D matrix to square hessian matrix
Started By : Kwaldner
0 438 Jun 18th 6:44 pm
Kwaldner
wB97XD functional not available yet??
Started By : Rajesh444
0 501 Jun 14th 11:16 am
Rajesh444
question about multiplicity
Started By : Kwaldner
4 585 Jun 8th 12:09 pm
Kwaldner
How to plot the excitation and emission spectra from output
Started By : Kullboys
0 423 Jun 5th 12:21 am
Kullboys
Excited state NMR
Started By : Chemicalcraig
0 611 May 24th 2:19 pm
Chemicalcraig
task tce optimize
Started By : Jank
1 903 May 17th 10:31 am
Mizuchi
cosmo off
Started By : P99
0 406 May 6th 9:00 am
P99
How to download old versions of NWCHEM?
Started By : Xinyma
2 583 May 3rd 2:35 pm
Xinyma
DFT with dummy atoms(no charge)
Started By : Neo
0 574 May 3rd 5:47 am
Neo
Problem restarting a TDDFT calculation using VEM implicit solvent
Started By : Lrdev
2 588 Apr 30th 9:22 am
Lrdev
How to do Mulliken Population Analysis with MP2?
Started By : Xinyma
2 657 Apr 22nd 3:22 pm
Xinyma
Memory issues with ANO-RCC basis
Started By : EmilioMac
2 618 Apr 20th 9:52 am
EmilioMac
ANO-RCC basis set for Yb
Started By : EmilioMac
3 620 Apr 4th 7:30 am
EmilioMac
DFT benchmark
Started By : Marcof
0 555 Apr 3rd 3:35 am
Marcof

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