We can skip the NEGF calculation if it is finished in the previous openmx
execution.
In this case, please specify the following keyword:
NEGF.tran.SCF.skip on
openmx
reads a file System.Name.tranb
generated in the previous
step 2 calculation, and calculates the transmission, eigenchannels, and so on.
On the other hand, if we intend to stop openmx
after it finishes the step 2 calculation,
the following keywords
should be set as follows:
NEGF.tran.SCF.skip off NEGF.tran.Analysis off NEGF.tran.Channel off