Dear Developers and Users,
We are trying to improve our calculation by using MBJ potential. Electron
charge density finished successfully,as we run x lapw2 -qtl for DOS this error
appears.
forrtl: severe (24): end-of-file during read, unit 10, file
/root/WIEN2k/mbj/./mbj.vector
Image
Please, check this text:
http://onlinelibrary.wiley.com/book/10.1002/9780470447710
Chapter 7 "Equilibrium Phase Diagrams from Ab Initio Thermodynamics (pages
163-177)" can be a good starting point.
Oleg
On Fri, Feb 21, 2014 at 7:51 AM, MAHDI SALMANI HIRMAND <
mahdisa_ri...@yahoo.com> wrote:
>
>
Dear Wien2k users,
How can i find structure phases stability of a compound in two symmetries?
How can i find the pressure related to it?
Is it necessary to use Gibbs energy for finding the pressure which symmetry of
compound will change?
Please give me some advices.
With best,
mahdi
_
Thanks Robert,
All slabs have now generated succesfully without any holes.
Kind regards,
Michael Sluydts
Robert Laskowski schreef op 21/02/2014 3:18:
Hi,
cp attached file to $WIENROOT/SRC_structeditor/bin.
thanks
Robert
On 20 February 2014 PM 10:17:55 Michael Sluydts wrote:
Hello ever
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