[Wien] RMT parameter

[Peter Blaha]

> I wish to use the potential/charge density of the above calculation for
> almost touching TM and host MT spheres ie with larger RMT in case.struct
> so that I dont have to start from scratch(saving the time) and converge to
> ground state quickly- a kind of non-self consistent calculation like we do
> for band structure after the self-consistent run.

You have to generate a program which reads the original struct and clmsum
clmup/dn files and interpolates / extrapolates the density to the new
radial mesh provided in a new struct file.

                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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