Subject: MOSOL package

From: "Mike Fearn" <[email-masked]>
Date: Tue, 15 Apr 1997 15:59:38 +0100

Dear CCL'ers,

 We're thinking of purchasing  the MOSOL package via the QCPE program in order
 to model point defects within crystals containing elements such as
 silicon, zinc, phosphorous, germanium and carbon. I have a few queries
 which I'd very much appreciate any comments on.

 The package description, available via CCL mentions parameters are available
 for all the elements I mention above except zinc. Can MOSOL handle zinc ?
 Has anyone  any experience of such calculations ?

 Is it realistic to do structure relaxations on systems of around 60-100 atoms
on top-end workstations (e.g SGI, HP) ?

 We are also interested in any general comments from existing users of the
package on issues such as  setup, documentation, accuracy and facilities ?

 I will summarise responses to the list.

Regards,
Mike Fearn.

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