[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

Re: [Wien] Formula full-potential

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:*

Re: [Wien] Formula full-potential

. 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

Re: [Wien] Formula full-potential

. 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

Re: [Wien] Formula full-potential

Hi, I was wrong, since there is no detail on the construction of the potential in Dufek's thesis. To my knowledge, there is unfortunately no document where the construction of the potential is explained in great details specifically for WIEN2k. This is not trivial and made more complicated by

[Wien] Formula full-potential

Dear Prof. F. Tran The links on the site, we did not find detailed information on the construction and use of the full-potential in the code WIEN2k. As you can see the thesis P. Dufek, you mentioned? We will be very grateful, if you send us this thesis, even in hard copy at: Russian

Re: [Wien] Formula full-potential

A few details here: http://www.springer.com/us/book/9780387287805 http://citeseerx.ist.psu.edu/viewdoc/download?doi=10.1.1.155.1413=rep1=pdf http://iopscience.iop.org/article/10.1088/0953-8984/26/36/363202/pdf The document which contains the largest amount details is probably the thesis from P.

[Wien] Formula full-potential

Dear All I just read paper “Computation of Materials Properties at the Atomic Scale // Karlheinz Schwarz 2015” (4.2. The choice of the potential) and User's Guide (2.2.3 General considerations, formula 2.10), In its general form the LAPW (APW+lo) method expands the potential in the following