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
Calculating oscillator strengths	2	627	Jul 3rd 10:48 am Jmk12
Restarting Hessian Calculation	5	2972	Jun 24th 9:38 am Seebol
NWChem6.8.1 MA Error	2	670	Jun 23rd 2:33 pm Srhhh
New to NWChem and Avogadro...running the Getting started example	1	728	Jun 10th 1:07 pm Jwkeller
Why parallel running does not reduce time?	0	409	Jun 1st 9:47 am Rxdcpu
Different CCSD correlation energies between TCE and legacy CCSD code	2	462	May 29th 8:10 pm Xiongyan21
How exactly are range-separated hybrids defined in NWChem?	0	368	May 23rd 8:45 pm Etathetazeta
How to restart CPMD Metadynamics on NWChem?	0	320	May 17th 1:01 pm Florianj
Missing library for nwpw calculation	0	365	May 9th 1:09 pm Oka
How to construct SCAN0	4	485	May 9th 7:57 am Goose99
Ensemble	1	1191	May 2nd 7:06 am Bb2n18
CDFT: Unable to improve the multipliers during geometry optimization	1	380	May 1st 2:47 pm Aaronchen0316
Why adding an independent job changes the following calculation?	0	378	Apr 22nd 2:31 pm Taishanzhu
Raman calculation failed at Hessian	1	483	Apr 9th 10:57 am Edoapra
molecular dynamics output file	3	3200	Apr 8th 4:40 am Bb2n18
NaN problem with m-GGA (TPSS)	3	634	Apr 5th 1:51 pm Jcpkato
Possible to restart CCSD or CCSDT TCE calculations?	3	582	Apr 3rd 5:48 pm Xiongyan21
DPLOT in RT-TDDFT	6	2358	Mar 25th 11:08 am Sean
Q-HOP MD simulation	0	453	Mar 11th 4:53 am Josemanuel
ROHF RPA TDDFT Excited Energies Calculation of Sc Failed on Mac using PBE0 and aug-cc-pvdz	11	1788	Mar 10th 8:57 am Xiongyan21
release constrained coordinates	0	454	Mar 7th 2:11 pm Sibolin
Convergence problem for gold cluster (electrode)	1	475	Mar 5th 3:01 pm Edoapra
Can this vibrational analysis be accepted as for a geometry optimization stationary point?	3	884	Mar 4th 9:18 pm Xiongyan21
Failed convergence during ZORA property calculation	2	1100	Mar 1st 8:42 am Fperras
Ubuntu 18	1	702	Feb 28th 12:07 pm Edoapra

Forum >> NWChem's corner >> Running NWChem

Jump to page 1Prev 2545678910Next 25Last