QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: John on November 2, 2010, 15:06

Title: Real Space Effective Potential Voltage Drop
Post by: John on November 2, 2010, 15:06

Dear everyone,
    When I plot the voltage drop, all the atoms can not be displayed, only the scale value can be shown, as shown in the following figure.  Anyone can give the possible reasons, and how to deal with the problem?  Thanks! (I use the version of ATK2008.10, and the two-probe model (Aubulk-Molecule-Aubulk) and input file are both produced by VNL).

Title: Re: Real Space Effective Potential Voltage Drop
Post by: zh on November 5, 2010, 04:46

When you add the voltage drop into a vnl file, the atomic configuration of your two-probe system should also added into that vnl file by calling "addToSample()", e.g.:
# Export the two-probe configuration to a VNL file
vnl_file = VNLFile("test.vnl")
vnl_file.addToSample(two_probe_conf, "test")