Re: [Wien] query for external B_ext

Thank you Prof. Peter, I will try and get back to you soon with an update. Regards Bhamu On Sun, Apr 16, 2017 at 12:01 PM, Peter Blaha wrote: > This is not supported by the wien2k scripts. > > You would have to modify the runsp script, and copy the case.inorb_B

Re: [Wien] query for external B_ext

This is not supported by the wien2k scripts. You would have to modify the runsp script, and copy the case.inorb_B file before lapw0 to case.inorb; and the case.inorb_U file before orb. Am 10.04.2017 um 15:02 schrieb Dr. K. C. Bhamu: Dear Users I want to apply B in 0 0 1 direction for a

[Wien] query for external B_ext

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