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Electrostatic potential between leads in NEGF transport calculations
Date: 2015/01/20 03:52
Name: Konstantin Khromov   <k.yu.khromov@gmail.com>

Dear OpenMX users,

Is there a possibility in openmx to output electrostatic potential distribution in the central scattering region after the Poisson + Schroedinger procedure has converged?

regards,
Konstantin
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Re: Electrostatic potential between leads in NEGF transport calculations ( No.1 )
Date: 2015/01/20 18:49
Name: Artem  <artem.pulkin@epfl.ch>

See vhart.cube file, as explicitly stated in the documentation.

You are welcome,

Artem
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Re: Electrostatic potential between leads in NEGF transport calculations ( No.2 )
Date: 2015/01/20 19:45
Name: Konstantin Khromov  <k.yu.khromov@gmail.com>

Thank you, Artem.
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