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