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
How to plot the electron distribution
Moderators: Davide Sangalli, andrea marini, Daniele Varsano
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How to plot the electron distribution
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- Daniele Varsano
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Re: How to plot the electron distribution
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
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
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
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- Posts: 287
- Joined: Fri Apr 09, 2010 12:30 pm
Re: How to plot the electron distribution
Thank you for your reply.
I am confused the 'just multiply by (-1) your wfs', How can I do this?
Thanks!
I am confused the 'just multiply by (-1) your wfs', How can I do this?
Thanks!
- Daniele Varsano
- Posts: 3875
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: How to plot the electron distribution
Hi,
when you load your xsf data file with xcrysden,
Tools --> Data grid,
you can choose to multiply your data by a factor.
Daniele
when you load your xsf data file with xcrysden,
Tools --> Data grid,
you can choose to multiply your data by a factor.
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/