[Pw_forum] How to calculate inverse participation ratio (IPR) using espresso?
reza vatan
rezavatan64 at gmail.com
Fri Jul 24 02:12:45 CEST 2015
Dear all,
I obtained the DOS plot (the attachment) of a-Si generated by a supercell
containing 64 atom using QE. For finding mobility edge in my DOS plot, I'm
willing to calculate the inverse participation ratio of the electronic
states in the plot as a measure of localization. I'm wondering if there is
any way to calculate IPR using Espresso output files.
Any suggestion would be highly appreciated.
Thanks in advance.
Best,
Reza
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150723/104a5546/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: dos.png
Type: image/png
Size: 5682 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150723/104a5546/attachment.png>
More information about the users
mailing list