Re: [Pw_forum] about antiferromagnetic case

2018-02-13 Thread Steve Novakov
Hi Mutlu, I believe you need to extend the unit cell to the fundamental magnetic lattice, not just the atomic Bravais lattice. You need duplicate the unit cell in one direction and define the Mn in each of the two subcells as different 'species' and treat them accordingly. *Steve Novakov

Re: [Pw_forum] Magnetization Density Calculation

2018-02-02 Thread Steve Novakov
this correctly. So, I should stick with plotnum=13, specify the direction as stated, and then configure to give me the values on the desired grid in the unit cell? Thanks, *Steve Novakov* BASc Engineering Physics Candidate - PhD Physics Ferroelectronics Laboratory <http://www.ferroelectronicslab.

[Pw_forum] Magnetization Density Calculation

2018-02-01 Thread Steve Novakov
be in binary and I have tried importing them using various encodings but it is all gibberish thus far. I would greatly appreciate any guidance in this matter. Thank you. -- *Steve Novakov* BASc Engineering Physics Candidate - PhD Physics Ferroelectronics Laboratory <http://www.ferroelectronics