The point about the full potential is that the radial part inside the sphere is 
numerical, you have a net of points going from r=0 to Rmt, so no basis is 
needed as in the Gaussian program where the radial part is formed by gaussian 
functions.


________________________________

Tuan,

        What that equation means is that you have a full basis for your 
potentials, functions, etc.

        The plane waves outside muffin tin sphere is ok in a region where the 
potential does not vary too much, but it is hopeless near the atomic nuclei 
where the potential varies as 1/r, near a nucleus the atomic like functions 
work well with this kind of potential, so the problem is to match both 
functions both in value and in slope at the muffin tin sphere.

        It is like the step function where you have two plane waves with 
different frequency and you have to match them at the step.


        Saludos


                    Pablo


________________________________
De: wien-boun...@zeus.theochem.tuwien.ac.at 
<wien-boun...@zeus.theochem.tuwien.ac.at> en nombre de Tuan Vu 
<kesitinhkhongdu...@gmail.com>
Enviado: martes, 29 de diciembre de 2015 09:22 p. m.
Para: Wien@zeus.theochem.tuwien.ac.at
Asunto: [Wien] Formula full-potential

Dear Pro. F. Tran


Reason do i need details of the potential:

Time is coming for me to protect my PhD dissertation as part of the 
University-supported project.
One of the key question that I will answer before the dissertation council is 
that how formula 2.10 in the userguide's.pdf is formed.
The council includes professors from many universities and academies in Russia, 
so I can't avoid that questions because the reliability
of the calculation package depends on the full-potential, and so does my work. 
With all of my respect, I hope that you can help me
with this question about the full-potential.

Rest regards
PhD. Student Tuan Vu
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