[Wien] Problem in displaying Energy/ volume curve

[tran at theochem.tuwien.ac.at]

Hi,

With so little information, we can not really guess at which step
you made a mistake. But maybe you chose the wrong option when
executing "x optimize". For a cubic system like Al you have to choose
[1]  VARY VOLUME with CONSTANT RATIO A:B:C

FT

On Thursday 2019-03-28 15:23, Mansouri Tahar wrote:

>Date: Thu, 28 Mar 2019 15:23:36
>From: Mansouri Tahar <chmansouri94 at gmail.com>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: wien at zeus.theochem.tuwien.ac.at
>Subject: [Wien] Problem in displaying Energy/ volume curve
>
>Hello everyone
>
>I am a new beginner using wien2k software.
>To make initial training I have started optimizing Al " as an example".
>I have run optimize  volume, c/a-ratio for a cubic structure.
>The calculation arrived at its end but no figure is plotted. I was expecting
>to see the Energy vs Volume figure but nothing is plotted.
>For your information xcrysden is seems working well as i can see the
>structure.
>
>Can please advice. 
>Tahar 
>
>