[Wien] To avoid Rmt parameter

[Ponniah Ravindran]

Hello,

	I think we can avoid Rmt overlap if we use a ratio of Rmt/Rws
(Rmt-> the usual MT radius currently used in the wien code and Rws-
average Weigner Seitz radus) in the struct file. As the Rws will vary with
volume, if we use the parameter Rmt/Rws in the input rather than Rmt we
can avoid the RMT's overlap. The flmto code I am using have this feature and hence I need
not worry about the overlap when I do calculations at extreame pressures.
I hope the wien developers may think about using Rmt/Rws in the struct
file instead of Rmt.

Best regards
Ravi

On Fri, 20 Jun 2003, Torsten Andersen wrote:

> Depends on what kind of "crash". Usually, it would crash for the low end
> of the volume range when RMT's overlap. In that case you need to
> decrease RMT of the atoms before you can continue.
>

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