[Pw_forum] Problem with determination of U using linear response
prasenjit.jnc at gmail.com
Wed May 27 14:55:34 CEST 2015
Thanks for the clarification.
> I do not know the answer to your question (it probably depends on the
> details of the DOS of your system) but the situation does not look tragic
> to me.
I agree with you that the situation does not look tragic. What should one
look for in the DOS? Also how seriously should one take the difference
between 6.60012 and 6.60162 (these are occupations at alpha=0.0 and ideally
should be zero.
Also a general question......if one wants to determine the magnetic ground
state of a system, then how sensitive is the value of U to the magnetic
structure? What is the correct approach and/or practical to determine U in
Dr. Homi Bhabha Road, Pashan
Pune, Maharashtra 411008, India
Phone: +91 (20) 2590 8203
Fax: +91 (20) 2589 9790
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the users