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Displaying 8 results for: Holyriver6 Topics
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single scf using DFT
Started By : Holyriver6
0 91 Jul 22nd 5:44 pm
Holyriver6
General Topics
DIRDYVTST error
Started By : Holyriver6
0 77 Jul 20th 10:53 am
Holyriver6
General Topics
How to optimized a metal organic framework with a large ligand?
Started By : Holyriver6
0 828 Jun 18th 1:41 pm
Holyriver6
General Topics
graphene isotope
Started By : Holyriver6
1 1255 Jan 22nd 12:47 pm
Sean
General Topics
small Ni cluster convergence
Started By : Holyriver6
9 1370 Oct 14th 8:01 pm
Xiongyan21
Running NWChem
convergence issue for a small Zn cluster
Started By : Holyriver6
2 1008 Sep 23rd 11:11 am
Holyriver6
Running NWChem
arm chair CNT cannot converge
Started By : Holyriver6
2 956 Sep 23rd 10:26 am
Holyriver6
Running NWChem
can we have pseudopotentials with atomic basis sets
Started By : Holyriver6
2 1073 Sep 21st 8:11 am
Holyriver6
Running NWChem

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