You need to work out what the warning is from, I.e. grep :WARN *scf before
anything else.
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Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
http://www.numis.northwestern.edu
Corrosion in 4D
Dear W2k users,
I convey the greets to Dr.Blaha for his assistance with that I have
specified the spin of Fe & other elements of BFO.
The SCF has been initiated and converged after 40 cycles for the
ENERGY but the notice popped up,
in cycle 40ETEST: .01505000 CTEST: .0009601
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