[Wien] Calculation about the effect of external magnetic field

李艳丽 liyanli128 at 163.com
Tue Sep 2 06:19:34 CEST 2014


Dear all,
    I notice that a external magnetic field could be applied in wien2k by orb. And I used the order ' runsp_lapw -ec 0.0001 -orb -p ' to calculate the effect of external magnetic field on the electronic structures of Fe3O4, and there are no change happened. 
   I also tried many tests on other materials, and the results are also the same with that without the external magnetic field. So it means the external magnetic field has no effect on the properties of the materials, which is not consistent with the experimental results.
  Therefore I want to know  whether the function of adding external magnetic field worked ?
Best Regards,
Yanli 
Wuhan University of Science and Technology, Wuhan, P.R.China
430070
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20140902/f82e3786/attachment.htm>


More information about the Wien mailing list