danielguterding/dhva

Calculates de Haas-van Alphen frequencies and band masses.

dhva's Issues

Several questions

Dear danielguterding,

Thank you for your very nice code "dhva" to be open to the public!

I have several queries about this code.

Regarding the angle phi, README file says that "phi=90" will lead to a situation where the magnetic field is "parallel" to the kz-axis,
but is this correct?
Judging from the output, "phi=0" seems to correspond to the "parallel" case.

In addition, the code sometimes returns "Segmentation fault (core dumped)" after the message "Started matching fermi surface sheets".
With my input bxsf, the above error appears when I set phi=90, but it correctly works when I set phi=0.
Is this a possible bug, or an environment-dependent issue?

For your reference, I attached my input bxsf.
band_rev.bxsf.zip
(In this input, the reciprocal lattice vector is given by 2*pi/a etc. in unit of angstrom^-1, so I think I should modify files.cpp to obtain correct crosssection and cyclotron mass)
The calculation condition is as follows: ./dhva band_rev.bxsf.band-8 1 400 6 0or90 0 0.05 0.01 10 1 0

Best regards,
AKB-OU