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How to plot the electron distribution
Posted: Thu Apr 21, 2011 2:23 am
by sdwang
Dear developers:
I have found some papers give the electron distribution of excitons after integrating out the other coordinates.The plot is in attachment.
I wonder how can I plot this with ypp?
S. D. Wang
Re: How to plot the electron distribution
Posted: Thu Apr 21, 2011 8:48 am
by Daniele Varsano
Dear S.D. Wang,
as documented
here ,
you can do 1d or 2d plot by choosing the "Direction" and "Format". User the number 1,2,3 for x,y,z.
In 1D, when choosing 1, yambo integrate the excitonic wavefunction in the other two directions.
1D plots are compatible with (g)nuplot format. 2D plots you can choose either (g)nuplot or (x)crysden.
If you want white background in xcrysden, as in the paper you mention, just multiply by (-1) your wfs,
you can do directly when loading file in xcrysden, and then play with the color maps.
Cheers,
Daniele
Re: How to plot the electron distribution
Posted: Thu Apr 21, 2011 9:13 am
by sdwang
Thank you for your reply.
I am confused the 'just multiply by (-1) your wfs', How can I do this?
Thanks!
Re: How to plot the electron distribution
Posted: Thu Apr 21, 2011 9:29 am
by Daniele Varsano
Hi,
when you load your xsf data file with xcrysden,
Tools --> Data grid,
you can choose to multiply your data by a factor.
Daniele