[Wien] query for external B_ext

Dr. K. C. Bhamu kcbhamu85 at gmail.com
Mon Apr 10 15:02:56 CEST 2017


Dear Users

I want to apply B in 0 0 1 direction for a case (for example NiO mentioned
at page number 120 in UG).

For general calculations we need to apply U for Ni and do scf calculation.

If we apply B_ext in a particular direction say 0 0 1 direction then I
stuck.

My query is: how to run scf with B_ext plus U, because in case.inorb (page
120 inUG) we do not have option to specify "U" for a B_ext case.

Could someone please tell me what is the correct process to run scf with
B_ext.


Regards
Bhamu
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