This question can be a kind of stupid one, but I need a confirmation so that I ask here.
I saw the integration scheme of TRANSIESTA, and found that FD distribution is considered during Gaussian quadrature. I am trying to catch a 'missing' state during density integration under nonequilibrium situation, thus I need to generate new gaufermi_x functions for my purpose. (I found that it is usually called as bound state problem) Can anybody give me a hint on this problem? I will be looking forward to receiving replies from developers. -- Jeonghun Yun Postdoctoral Researcher Department of Research on Natural Science Ulsan National Institute of Science and Technology 103-406, UNIST-gil 50, Ulju-gun, Ulsan Metropolitan city, South Korea E-Mail with Affiliation: jeonghun...@unist.ac.kr TEL: +82-10-3207-2365
