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Thread Title Replies Views Last Action Forum
Problems with CDFT and Becke populations (NWChem 6.6)
Started By : Buchwj
4 1265 Nov 1st 11:01 am
MMassen
Running NWChem
"rtdb_open old failed" on BG/Q when old rtdb file exists
Started By : Buchwj
2 404 Aug 26th 1:05 pm
Edoapra
Running NWChem
NaN energies in DFT calculation with M06 family of functionals
Started By : Buchwj
2 1201 Jan 13th 11:59 am
Buchwj
Running NWChem
DFT quadratic convergence criteria
Started By : Buchwj
2 794 Dec 15th 6:45 pm
Buchwj
Running NWChem
Exit with no message after single iteration in DFT optimization
Started By : Buchwj
0 836 Jul 2nd 7:47 am
Buchwj
Running NWChem

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