Dear wien2k users,
I have solved the above problem. I have plotted data of
case.analysis file and done a polynomial fit in Origin. It is giving a
smooth minima.
Thanking you,
with regards,
On Fri, Jun 21, 2013 at 7:23 AM, shamik chakrabarti <shamik...@gmail.com>wrote:
> Dear wien2k users,
>
> I have optimize b/a ratio of an orthorhombic crystal. After
> calculation of all scf files generated from struct files having different
> b/a ratio, when I go to plot the results using w2web, I got only two option:
>
> (1) E vs V....& (2) E vs c/a (??)....and to my surprise there is no option
> to plot E vs b/a....& hence I am not able to plot the data!!!
>
> What should I do in this scenario. Any response in this regard will be
> helpful for us.
>
> with regards,
>
> --
> Shamik Chakrabarti
> Senior Research Fellow
> Dept. of Physics & Meteorology
> Material Processing & Solid State Ionics Lab
> IIT Kharagpur
> Kharagpur 721302
> INDIA
>
--
Shamik Chakrabarti
Senior Research Fellow
Dept. of Physics & Meteorology
Material Processing & Solid State Ionics Lab
IIT Kharagpur
Kharagpur 721302
INDIA
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