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Thread Title Replies Views Last Action Forum
Problems with CDFT and Becke populations (NWChem 6.6)
Started By : Buchwj
4 1259 Nov 1st 11:01 am
MMassen
Running NWChem
degenerate HOMO-LUMO and symmetry
Started By : Jiachen
2 514 Dec 9th 2:50 pm
Jiachen
General Topics
"rtdb_open old failed" on BG/Q when old rtdb file exists
Started By : Buchwj
2 398 Aug 26th 1:05 pm
Edoapra
Running NWChem
NWChem 6.6 for BlueGene/Q
Started By : Chiensh
15 1554 Aug 10th 9:49 pm
Buchwj
Compiling NWChem
NaN energies in DFT calculation with M06 family of functionals
Started By : Buchwj
2 1196 Jan 13th 11:59 am
Buchwj
Running NWChem
DFT quadratic convergence criteria
Started By : Buchwj
2 792 Dec 15th 6:45 pm
Buchwj
Running NWChem

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