Hi Jeonghun Yun, Implementing a different contour for this may be rather difficult.
First of all, it depends on whether you use 4.0, or 4.1? For 4.0 you should look into file: m_ts_contour.F90 While for 4.1 you should look into file: m_ts_contour_eq.F90 If you _only_ wish to change the weights and nodes of the Gauss-Fermi quadrature functions, that may be MUCH easier as that is simply replacing values to correspond to your wish. It all depends. 2017-04-13 8:50 GMT+02:00 Jeonghun Yun <yjh9...@gmail.com>: > 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 <+82%2010-3207-2365> > -- Kind regards Nick
