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Locked Sticky: Website shutting down. Moving forum to google groups
Started By : Edoapra
0 804 Jun 18th 5:01 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
Started By : Edoapra
0 13164 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
Restarting Hessian Calculation
Started By : Himadride
5 2930 Jun 24th 9:38 am
Seebol
NWChem6.8.1 MA Error
Started By : Srhhh
2 594 Jun 23rd 2:33 pm
Srhhh
New to NWChem and Avogadro...running the Getting started example
Started By : Soph
1 630 Jun 10th 1:07 pm
Jwkeller
Why parallel running does not reduce time?
Started By : Rxdcpu
0 370 Jun 1st 9:47 am
Rxdcpu
Different CCSD correlation energies between TCE and legacy CCSD code
Started By : Chiensh
2 421 May 29th 8:10 pm
Xiongyan21
How exactly are range-separated hybrids defined in NWChem?
Started By : Etathetazeta
0 328 May 23rd 8:45 pm
Etathetazeta
How to restart CPMD Metadynamics on NWChem?
Started By : Florianj
0 280 May 17th 1:01 pm
Florianj
Missing library for nwpw calculation
Started By : Oka
0 325 May 9th 1:09 pm
Oka
How to construct SCAN0
Started By : Goose99
4 431 May 9th 7:57 am
Goose99
Ensemble
Started By : Fariba4
1 1135 May 2nd 7:06 am
Bb2n18
CDFT: Unable to improve the multipliers during geometry optimization
Started By : Aaronchen0316
1 341 May 1st 2:47 pm
Aaronchen0316
Why adding an independent job changes the following calculation?
Started By : Taishanzhu
0 344 Apr 22nd 2:31 pm
Taishanzhu
Raman calculation failed at Hessian
Started By : Amartins
1 440 Apr 9th 10:57 am
Edoapra
molecular dynamics output file
Started By : Sacch
3 3140 Apr 8th 4:40 am
Bb2n18
NaN problem with m-GGA (TPSS)
Started By : Jcpkato
3 555 Apr 5th 1:51 pm
Jcpkato
Possible to restart CCSD or CCSDT TCE calculations?
Started By : Ultra
3 535 Apr 3rd 5:48 pm
Xiongyan21
DPLOT in RT-TDDFT
Started By : Vinayak
6 2273 Mar 25th 11:08 am
Sean
Q-HOP MD simulation
Started By : Josemanuel
0 409 Mar 11th 4:53 am
Josemanuel
ROHF RPA TDDFT Excited Energies Calculation of Sc Failed on Mac using PBE0 and aug-cc-pvdz
Started By : Xiongyan21
11 1742 Mar 10th 8:57 am
Xiongyan21
release constrained coordinates
Started By : Sibolin
0 405 Mar 7th 2:11 pm
Sibolin
Convergence problem for gold cluster (electrode)
Started By : Rockyroad
1 436 Mar 5th 3:01 pm
Edoapra
Can this vibrational analysis be accepted as for a geometry optimization stationary point?
Started By : Xiongyan21
3 811 Mar 4th 9:18 pm
Xiongyan21
Failed convergence during ZORA property calculation
Started By : Fperras
2 1038 Mar 1st 8:42 am
Fperras
Ubuntu 18
Started By : Luismiguelvarela
1 639 Feb 28th 12:07 pm
Edoapra
Problems with running dntmc calculation
Started By : Kirill96
1 343 Feb 26th 5:11 pm
Kirill96

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