[Wien] Reg: Angle (Theta)dependent dHvA frequencies with SKEAF code

Dear Rourke, Is it possible to calculate angle dependent dHvA frequencies with SKEAF code. At the time of initialization of calculation it tis taking default Theta as zero degree. I need to get the frequencies from 0 degree to 90 degree in step of 10 degree. Is it possible? Thanking you.

Re: [Wien] Aligning magnetization direction along high symmetry crystallographic direction

If your referring to themagnetocrystalline anisotropy (MCA) energy equation 2.77 on page 20 in: https://www.ifw-dresden.de/userfiles/groups/itf_folder/Theses/carsten_neise_phd.pdf I remember that there was this post on MAE:

Re: [Wien] Aligning magnetization direction along high symmetry crystallographic direction

Is it possible to calculate free energy in WIEN2k or we need additional calculations such as DFT+EDMFT or using PhonoPy(QE)? Best regards. Thank you!! Nileema Sharma On Wed, May 20, 2020 at 12:06 PM Xavier Rocquefelte < xavier.rocquefe...@univ-rennes1.fr> wrote: > And another comment. Applying

Re: [Wien] Aligning magnetization direction along high symmetry crystallographic direction

And another comment. Applying the magnetization along a high symmetry direction does not mean that you will apply SOC in the direction for which the effect will be maximum... It is why, people study the magnetocrystalline anisotropy energy (MAE). Best regards Xavier Le 20/05/2020 à 08:07,

Re: [Wien] Aligning magnetization direction along high symmetry crystallographic direction

I am willing to calculate the free energy of the hexagonal system. I came to know "free energy corresponds to the energy when the direction of magnetization is along the high symmetry crystallographic direction" from the literature. Correct me if I have misunderstood or taking the wrong

Re: [Wien] Aligning magnetization direction along high symmetry crystallographic direction

I think nobody really understands your question. Obviously for a hexagonal system the c-axis is a very high symmetry direction. This corresponds to 0 0 1 Of course, the a (or b) direction is also a special direction, but it will break hexagonal symmetry as the a and b directions will no