search

Ivanlh20 / multem

MULTEM is a powerful and advanced collection of C++ routines with CUDA support, designed to perform efficient and accurate multislice simulations for various TEM experiments such as HRTEM, STEM, ISTEM, ED, PED, CBED, ADF-TEM, ABF-HC, EFTEM, and EELS.
GNU General Public License v3.0
65 stars 26 forks source link

Scherzer defocus formula incorrect #19

Closed thomasaarholt closed 4 years ago

thomasaarholt commented 6 years ago

I think you have a typo in your scherzer defocus formula. According to Kirkland, the inner paranthesis is (2*n-0.5), whereas you have (2*n-1.0).

https://github.com/Ivanlh20/MULTEM/blob/da3aeca4705e88066555d46627b401207437146e/src/host_device_functions.cuh#L153

Ivanlh20 commented 6 years ago

Yeah, that is true. I was testing another thing and I forgot to change it back. I will change it in the new release.