[Wien] about the rmt value
L-marks at northwestern.edu
Sun Aug 24 20:26:43 CEST 2014
The first think to note is that emails should go to the list, not private
email addresses (unless someone asks you to).
The typical RMT via setrmt for Co is around 1.8, your value is too small.
Use some viewer to look at the atom distances of your case.struct, e.g.
Xcrygen, Vesta, Crystalmaker, Jmol, Atoms.
On Sunday, August 24, 2014, Minghao Zhang <miz016 at eng.ucsd.edu> wrote:
> Hi Laurence,
> Since I'm a new hand with WIEN2K calculation, may you tell me what do
> you mean "a factor of two" and can you suggest there is a method to set
> reasonable value for Li Co and O atom?
> Thanks a lot and Best regards,
> Minghao, Zhang, Graduate Student.
> Department of NanoEngineering
> University of California, San Diego
> SME Building, room 242C
> 9500 Gilman Drive
> La Jolla, CA 92093
> Cell: 858-956-9058
> e-mail: miz016 at eng.ucsd.edu
> Group website: http://ne.ucsd.edu/smeng/
Professor Laurence Marks
Department of Materials Science and Engineering
Corrosion in 4D: MURI4D.numis.northwestern.edu
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the Wien