Running NWChem

Announcement's Replies Views Last Action
Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups
0 1715 Jun 18th 5:01 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
0 13620 Dec 14th 2:51 pm
Edoapra

Jump to page 1Prev 2545678910Next 25Last
Thread Title Replies Views Last Action
cphf_solve2 issues for vibrational calculation in version 6.8.1
3 458 Aug 19th 9:47 am
IGClayson
Negative frequency with MP2
0 396 Aug 17th 6:56 am
Jcpkato
Can NWCHEM search MECP like GAMESS
2 442 Aug 15th 3:50 am
Xiongyan21
scf input directive not recognized
0 317 Aug 8th 3:50 pm
Alysonts
ioctl error when using nwchem with ase
1 470 Aug 5th 12:05 pm
Edoapra
RT TDDFT Electric Field phase
0 343 Aug 5th 9:48 am
Matrix2017
Memory Error
3 432 Aug 2nd 9:15 am
Edoapra
Description of geometry in output file
1 401 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
0 392 Jul 27th 12:48 pm
Sergbuto
Implicit solvent for plane wave dft?
0 313 Jul 26th 7:01 am
Florianj
Optimization of H2O
2 495 Jul 23rd 6:16 pm
Hong420
Electron transfer based on CDFT
1 1562 Jul 22nd 3:31 pm
Nishat
SCF energy of the NWChem sample (H2O)
15 886 Jul 10th 6:31 pm
Hong420
calculations not reaching convergence
1 330 Jul 9th 5:48 pm
Yibo
Calculating oscillator strengths
2 628 Jul 3rd 10:48 am
Jmk12
Restarting Hessian Calculation
5 2973 Jun 24th 9:38 am
Seebol
NWChem6.8.1 MA Error
2 671 Jun 23rd 2:33 pm
Srhhh
New to NWChem and Avogadro...running the Getting started example
1 729 Jun 10th 1:07 pm
Jwkeller
Why parallel running does not reduce time?
0 410 Jun 1st 9:47 am
Rxdcpu
Different CCSD correlation energies between TCE and legacy CCSD code
2 463 May 29th 8:10 pm
Xiongyan21
How exactly are range-separated hybrids defined in NWChem?
0 369 May 23rd 8:45 pm
Etathetazeta
How to restart CPMD Metadynamics on NWChem?
0 321 May 17th 1:01 pm
Florianj

Forum >> NWChem's corner >> Running NWChem
Jump to page 1Prev 2545678910Next 25Last