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Displaying 5 results for: Buchwj Topics
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Thread Title Replies Views Last Action Forum
"rtdb_open old failed" on BG/Q when old rtdb file exists
Started By : Buchwj
2 346 Aug 26th 2:05 pm
Edoapra
Running NWChem
Problems with CDFT and Becke populations (NWChem 6.6)
Started By : Buchwj
3 1130 Feb 26th 8:42 pm
Manfred
Running NWChem
NaN energies in DFT calculation with M06 family of functionals
Started By : Buchwj
2 1123 Jan 13th 12:59 pm
Buchwj
Running NWChem
DFT quadratic convergence criteria
Started By : Buchwj
2 755 Dec 15th 7:45 pm
Buchwj
Running NWChem
Exit with no message after single iteration in DFT optimization
Started By : Buchwj
0 790 Jul 2nd 8:47 am
Buchwj
Running NWChem

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