Running NWChem


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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
 0 12336 Dec 14th 2:51 pm
Edoapra

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Local ECP potential is zero and ignored
 4 1286 Aug 21st 9:17 am
Edoapra
Problems with negative frequencies
 4 1024 Aug 19th 3:07 pm
Edoapra
cphf_solve2 issues for vibrational calculation in version 6.8.1
 3 388 Aug 19th 9:47 am
IGClayson
Negative frequency with MP2
 0 329 Aug 17th 6:56 am
Jcpkato
Can NWCHEM search MECP like GAMESS
 2 375 Aug 15th 3:50 am
Xiongyan21
scf input directive not recognized
 0 249 Aug 8th 3:50 pm
Alysonts
ioctl error when using nwchem with ase
 1 403 Aug 5th 12:05 pm
Edoapra
RT TDDFT Electric Field phase
 0 285 Aug 5th 9:48 am
Matrix2017
Memory Error
 3 343 Aug 2nd 9:15 am
Edoapra
Description of geometry in output file
 1 307 Jul 31st 10:29 am
Edoapra
error load output with gabedit 2.5.0 nwchem 6.8
 0 0 Jul 30th 7:52 am
Marcel
error load output with gabedit 2.5.0 nwchem 6.8
 0 0 Jul 30th 7:50 am
Marcel
error load output with gabedit 2.5.0 nwchem 6.8
 0 0 Jul 30th 7:49 am
Marcel
"cpsi_data_alloc: out of heap memory" error
 0 320 Jul 27th 12:48 pm
Sergbuto
Implicit solvent for plane wave dft?
 0 249 Jul 26th 7:01 am
Florianj
Optimization of H2O
 2 403 Jul 23rd 6:16 pm
Hong420
Electron transfer based on CDFT
 1 1445 Jul 22nd 3:31 pm
Nishat
SCF energy of the NWChem sample (H2O)
 15 757 Jul 10th 6:31 pm
Hong420
calculations not reaching convergence
 1 275 Jul 9th 5:48 pm
Yibo
Calculating oscillator strengths
 2 499 Jul 3rd 10:48 am
Jmk12
Restarting Hessian Calculation
 5 2883 Jun 24th 9:38 am
Seebol
NWChem6.8.1 MA Error
 2 546 Jun 23rd 2:33 pm
Srhhh
New to NWChem and Avogadro...running the Getting started example
 1 580 Jun 10th 1:07 pm
Jwkeller
Why parallel running does not reduce time?
 0 352 Jun 1st 9:47 am
Rxdcpu
Different CCSD correlation energies between TCE and legacy CCSD code
 2 384 May 29th 8:10 pm
Xiongyan21

Forum >> NWChem's corner >> Running NWChem
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