summary
Dear CCL reader:
I promise to give a summary on the question as:
I want to some references about calculation of electronic structure of
oxide or halide glass systems.
Also I want to know which program ( ab initio or semiempirical) can treat
elements like Mo, Cu, W, Ag and V.
Here is the answers I received till now:
From: V Sundararajan <sundar()at()cdac.ernet.in>
To: "FANG L." <scip5031()at()leonis.nus.sg>
Subject: Re: CCL:ccl: electronic structure of glass
Dear Fang,
For electronic structure of elements you may use LMTO
(Linear Muffin-Tin Orbital method, full-potential version) could be
used.
Contact Prof. O.K. Andersen at
andersen()at()radix2.mpi-stuttgart.mpg.de
regards
sundar
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V. Sundararajan, Applications group
Centre for Development of Advanced Computing
Pune University Campus, Pune 411 007
Phone: 352461/79/83/84 Ext 341/342 Direct 370098
Fax : +91 212 357551
e-mail: sundar()at()cdac.ernet.in
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