Precession series results overwritten

[rwhwebster]

Hi there,

I've recently started using the GPU double precision executable version of MuSTEM to simulate a precession series of CBED patterns. I have noticed that when I run this using absorption, this outputs the files with the azimuthal angles conveniently included in the filename to generate an easily identifiable series of files. However, when I use QEP instead, the output filename does not include this, and therefore each new pattern in the series overwrites the previous.

I'm happy to offer to look into this, however I won't have time to do so for a while.

Best,

Robert

[HamishGBrown]

Hi Robert,

Thanks for your question. Line 229 of s_absorptive_tem.f90, for absorptive calculations, adds a tilt descriptor to the filename of the output:

if (n_tilts_total>1) filename = trim(adjustl(filename))//tilt_description(claue(:,ntilt),ak1,ss,ig1,ig2)

This line is missing from the equivalent QEP subroutine, and you should add it at line 398 of s_qep_tem.f90. To make the function tilt_description accessible to the subroutine delete , only: tilt_wave_function from line 67 of s_qep_tem.f90:

use m_tilt, only: tilt_wave_function

I've just moved positions so am still finding my feet in terms of having a working compiler etc but I'll make the fix and provide pre-compiled executables shortly.

Cheers,
Hamish