Running again the step 3 only

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 previous step 2 calculation and calculate the transmission, eigenchannels, and so on.

On the other hand, when we will stop openmx after it finishes step 2 calculation, keywords should be set as follows:

NEGF.tran.SCF.skip  off
NEGF.tran.Analysis  off
NEGF.tran.Channel   off



2016-04-03