If you have set up the contours correctly (they are in the examples, or if using tselecs.sh) then one only needs to change TS.Voltage to the applied bias (in eV).
Then you do the tbtrans calculation using the same fdf flags (but with converged k-points) and then in the end of tbtrans it will print out the current flowing between two leads. Note, it will only print this if you have compiled tbtrans with NetCDF support. Please search the mailing list, and/or read the manual which describes the required steps. And please! Update to 4.1-b3!! Secondly, in 4.1-b3 there is a script that will install netcdf as required. 2017-10-12 6:36 GMT+02:00 Bibhas Manna <[email protected]>: > Dear Sir, > > Many thanks for your prompt reply. > > For getting single value of current for a particular bias voltage, > should I need to include any fdf flag in the .fdf input file of transiesta > ? And also where can I see this output current value ? > > I am using the same input .fdf file (graphene.fdf in example) for both > the transiesta and tbtrans calculations but not getting .AVTRANS output > file that might be produced after transiesta execution as per User Manual ( > *4.1-b2*). > > I seek your kind help to clear these doubts. > > Thanking you. > With regards, > Bibhas > -- Kind regards Nick
