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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
Started By : Edoapra
0 1725 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 3787 Dec 14th 2:51 pm
Edoapra

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Why does nwchem give different results from Molpro does?
Started By : Zfang
9 3285 Jul 31st 2:08 pm
Zfang
error in installing
Started By : Lovi
6 1733 Jul 27th 2:25 pm
Mernst
DPlot: movecs_read_header failed
Started By : Aggie2015
2 2481 Jul 23rd 9:50 am
Aggie2015
What is xc hfexch ?
Started By : Nazarov
0 1300 Jul 13th 9:59 pm
Nazarov
rodft, frequency calculation
Started By : Sujitha
5 2599 Jul 10th 9:53 am
Edoapra
MP2 density in gaussian cube format
Started By : Kgk
4 2436 Jul 8th 12:55 am
Kgk
How to make geometry optimization calculation faster
Started By : Chun-hung.wang
2 3135 Jul 5th 9:50 pm
Chun-hung.wang
Convergence issues with DFT
Started By : Moretto
2 1817 Jul 3rd 1:21 am
Moretto
Reproducibility issue with SODFT
Started By : Faycal
3 2082 Jun 22nd 2:09 am
Mernst
excited state electron densities from RT TDDFT
Started By : Perkinsj
0 1345 Jun 10th 9:30 am
Perkinsj
How to calculate electron transfer matrix element Vrp?
Started By : Broken1999
0 1461 Jun 5th 12:17 am
Broken1999
nwchem ESP: RMSD KJ/mol and % RMSD:
Started By : Cmjohns6
0 1307 Jun 3rd 1:55 pm
Cmjohns6
band structure
Started By : Makhyoun
3 2204 Jun 2nd 9:56 am
Jcgolden
CCSD(T) error doublet state
Started By : Manu nwchem
3 1848 May 23rd 1:51 pm
Manu nwchem
Unit of DFT energy calculation
Started By : Neo
3 6091 May 22nd 4:56 am
Neo
HOMO-LUMO gap and energy
Started By : Liuyun
2 2951 May 20th 9:37 am
Liuyun
rtdbget failed, error occured in runtime database
Started By : Aggie2015
5 1732 May 16th 11:51 am
Aggie2015
dft calculation yet output with no exchange-correlation energy?!
Started By : Bsmile
4 1631 May 1st 1:03 pm
Bsmile
TPSS-D3 optimization not converging
Started By : Lost plato
2 1714 Apr 30th 2:58 pm
Lost plato
dft calculation with fractional nuclear charge failed
Started By : Bsmile
3 1724 Apr 29th 10:59 pm
Bsmile
how to enhance Mulliken output format --- printing more sig digits?
Started By : Bsmile
2 1570 Apr 29th 9:36 am
Bsmile
Can we just request only PBE calculation instead of PBE0?
Started By : Bsmile
1 1688 Apr 28th 10:54 am
Edoapra
How to solve the scf energy slowly
Started By : Tfliu
1 1395 Apr 27th 6:58 am
Tfliu
task gradient failed
Started By : Satvinder
3 1841 Apr 25th 2:22 pm
Huub
How to calculate the free energy from the nwchem output file
Started By : Mhiranya
2 1894 Apr 25th 8:34 am
Mhiranya

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