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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 2531 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
Metadynamics with NWChem
Started By : Ejjp80
2 1234 May 24th 10:54 am
Jwkeller
How exactly are range-separated hybrids defined in NWChem?
Started By : Etathetazeta
0 15 May 23rd 8:45 pm
Etathetazeta
How to restart CPMD Metadynamics on NWChem?
Started By : Florianj
0 20 May 17th 1:01 pm
Florianj
Missing library for nwpw calculation
Started By : Oka
0 26 May 9th 1:09 pm
Oka
How to construct SCAN0
Started By : Goose99
4 56 May 9th 7:57 am
Goose99
Can NWCHEM search MECP like GAMESS
Started By : Xiongyan21
0 27 May 6th 11:50 pm
Xiongyan21
Ensemble
Started By : Fariba4
1 825 May 2nd 7:06 am
Bb2n18
CDFT: Unable to improve the multipliers during geometry optimization
Started By : Aaronchen0316
1 33 May 1st 2:47 pm
Aaronchen0316
Why adding an independent job changes the following calculation?
Started By : Taishanzhu
0 51 Apr 22nd 2:31 pm
Taishanzhu
QMD to simulate time-resolved IR
Started By : Xiongyan21
4 144 Apr 15th 9:41 pm
Xiongyan21
Raman calculation failed at Hessian
Started By : Amartins
1 69 Apr 9th 10:57 am
Edoapra
molecular dynamics output file
Started By : Sacch
3 2584 Apr 8th 4:40 am
Bb2n18
NaN problem with m-GGA (TPSS)
Started By : Jcpkato
3 119 Apr 5th 1:51 pm
Jcpkato
Possible to restart CCSD or CCSDT TCE calculations?
Started By : Ultra
3 92 Apr 3rd 5:48 pm
Xiongyan21
DPLOT in RT-TDDFT
Started By : Vinayak
6 963 Mar 25th 11:08 am
Sean
Q-HOP MD simulation
Started By : Josemanuel
0 85 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 1080 Mar 10th 8:57 am
Xiongyan21
release constrained coordinates
Started By : Sibolin
0 85 Mar 7th 2:11 pm
Sibolin
Convergence problem for gold cluster (electrode)
Started By : Rockyroad
1 93 Mar 5th 3:01 pm
Edoapra
Can this vibrational analysis be accepted as for a geometry optimization stationary point?
Started By : Xiongyan21
3 161 Mar 4th 9:18 pm
Xiongyan21
Failed convergence during ZORA property calculation
Started By : Fperras
2 106 Mar 1st 8:42 am
Fperras
Ubuntu 18
Started By : Luismiguelvarela
1 122 Feb 28th 12:07 pm
Edoapra
Problems with running dntmc calculation
Started By : Kirill96
1 81 Feb 26th 5:11 pm
Kirill96
TCE gives different energies compared to non-TCE CC calculations
Started By : Stephenyuwono
1 92 Feb 24th 2:36 am
Xiongyan21
Frequency Analysis Grid Density Problem
Started By : Sparks
14 529 Feb 21st 4:54 am
Sparks

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