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Thread Title Replies Views Last Action Forum
degenerate HOMO-LUMO and symmetry
Started By : Jiachen
2 431 Dec 9th 3:50 pm
Jiachen
General Topics
"rtdb_open old failed" on BG/Q when old rtdb file exists
Started By : Buchwj
2 337 Aug 26th 2:05 pm
Edoapra
Running NWChem
NWChem 6.6 for BlueGene/Q
Started By : Chiensh
15 1414 Aug 10th 10:49 pm
Buchwj
Compiling NWChem
Problems with CDFT and Becke populations (NWChem 6.6)
Started By : Buchwj
3 1126 Feb 26th 8:42 pm
Manfred
Running NWChem
NaN energies in DFT calculation with M06 family of functionals
Started By : Buchwj
2 1118 Jan 13th 12:59 pm
Buchwj
Running NWChem
DFT quadratic convergence criteria
Started By : Buchwj
2 750 Dec 15th 7:45 pm
Buchwj
Running NWChem

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