&MCCLdata ! only bse1, full or Ivol simulation mode = 'full' ! 'bse1' or 'full', 'Ivol', ! name of the crystal structure file xtalname = 'hBN.xtal', ! for full mode: sample tilt angle from horizontal [degrees] sig = 70.0, ! for bse1 mode: start angle sigstart = 0.0, ! for bse1 mode: end angle sigend = 30.0, ! for bse1 mode: sig step size sigstep = 2.0, ! sample tilt angle around RD axis [degrees] omega = 0.0, ! number of pixels along x-direction of square projection [odd number!] numsx = 501, ! number of incident electrons per thread num_el = 10, ! GPU platform ID selector platid = 0, ! GPU device ID selector devid = 0, ! number of work items (depends on GPU card; leave unchanged) globalworkgrpsz = 150, ! total number of incident electrons and multiplier (to get more than 2^(31)-1 electrons) totnum_el = 2000000000, multiplier = 1, ! incident beam energy [keV] EkeV = 15.D0, ! minimum energy to consider [keV] Ehistmin = 5.D0, ! energy binsize [keV] Ebinsize = 1.0D0, ! maximum depth to consider for exit depth statistics [nm] depthmax = 100.D0, ! depth step size [nm] depthstep = 1.0D0, ! should the user be notified by email or Slack that the program has completed its run? Notify = 'Off', ! output data file name; pathname is relative to the EMdatapathname path !!! dataname = 'hBN_MCoutput.h5' /