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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra 		0 433 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
Classical MD prepare not finding default force-field directories?
Started By : Smithmd 		0 5 Apr 5th 9:44 am
Smithmd
sample qmd input from nwchem official page does not work
Started By : Jtrkiller2018 		3 39 Apr 3rd 10:01 am
Edoapra
Problems running NWChem 6.5
Started By : Giaccai 		2 38 Apr 2nd 7:07 am
Giaccai
Compiling/Running NWChem 6.8.1 over Intel Omni-Path and NVidia P100 offload
Started By : Jskennyu 		0 15 Apr 1st 1:29 am
Jskennyu
Incorrect Orbital Plot
Started By : Ryan81 		1 150 Mar 23rd 11:40 pm
Yzhang
theory not specified dplot
Started By : Ac287 		2 46 Mar 22nd 10:18 am
Ac287
PBC geometry definition
Started By : Augolotti 		0 37 Mar 21st 8:26 am
Augolotti
Is it possible to add pressure in qmd simulation?
Started By : Liuwanqi 		0 39 Mar 15th 8:04 pm
Liuwanqi
Trouble with negative frequencies
Started By : ChemHunter 		14 296 Mar 14th 3:01 am
Sparks
TCE - DIIS
Started By : Masterluke 		0 70 Mar 9th 11:16 am
Masterluke
Using python within nwchem to scan the geometry
Started By : Mkelley 		6 1185 Mar 8th 2:46 am
Rpsahu151
Cannot allocate memory
Started By : Kyle 		2 72 Mar 7th 10:53 am
Kyle
ccsd(t) problem
Started By : Miblyf 		6 258 Mar 4th 4:55 pm
Xiongyan21
TDDFT QMD with initial coordinates and velocities from different software
Started By : Salle008 		4 67 Feb 28th 6:50 pm
Edoapra
TCE restart on BlueGene/Q
Started By : Masterluke 		10 174 Feb 25th 7:18 pm
Xiongyan21
Visualization of Electric Field/Electron Density Calculations and other questions
Started By : Philly 		0 63 Feb 23rd 1:00 pm
Philly
CCSD 2emet 9 returns error
Started By : Vladimir 		5 624 Feb 22nd 8:14 pm
Xiongyan21
CCSD(T) OpenMP Threads
Started By : Chiensh 		4 440 Feb 22nd 4:15 pm
Jhammond
relaxed CCSD density matrix
Started By : Kaunlao 		1 114 Feb 22nd 12:56 pm
Jhammond
TCE CCSD(T) fail when MCDRAM is cache mode
Started By : Chiensh 		1 69 Feb 22nd 12:51 pm
Jhammond
Multithreading in NWChem
Started By : Thomasklau 		1 77 Feb 22nd 12:48 pm
Jhammond
TDDFT Convergence Issues
Started By : CaptainCluster 		0 67 Feb 20th 5:50 am
CaptainCluster
CCSD convergence problems with tighter lindep:tol parameter
Started By : Ctu 		0 76 Feb 19th 9:31 am
Ctu
DFT calculations with fractional numbers of electrons
Started By : Superrice 		1 148 Feb 9th 6:54 pm
Niri
batch run
Started By : Faklerus 		4 138 Feb 1st 10:43 am
Edoapra

Forum >> NWChem's corner >> Running NWChem
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