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Auger line shape
Compiled and tested with Turbo C++
! ! Purpose : Perform a Gaussian broadening on a set of impulse signal ! data as input. ! Sigma will be calculated from the height of the impulses signal. ! You must input the range and the step of the output data in ! the proper order. ! No output file to be written, since it is designed to output ! to standard screen ! so as to work with gnuplot, as usage shown below. ! if you want to get an output file with final data, ! uncomment related 2 lines. ! you would get 'g-broadened.dat' ! Usage: ./command input_file min max step sigma ! UsageEx : plot '< gbroad.x input.dat width Xmin Xmax Xstep < ' u 1:2 ! ... ! in which, width : FWHM, full width at half maximum, e.g., 3.0 ! Xmin, Xmax: the range of X in output, e.g., 500 3000 ! Xstep : the increment of X in the output, e.g., 2 !
Multiple Scattering Theory code for first principles calculations
Thermoconductivity curve fitting in Particle Swarm Optimization approach
VASP tutorial
who knows
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