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README
This example shows how to obtain a simulated STM image of the AlAs(110) surface. The image is obtained by integrating the density of states from the bias potential to the fermi energy, as proposed by Tersoff and Hamann [PRB 31, 805 (1985)]. 1) make a self-consistent calculation for the relaxed AlAs (110) surface by using a slab supercell. (input=AlAs110re.scf.in, ouput=AlAs110re.scf.out) 2) make a non-self-consistent calculation for the same cell with a larger number of k points (input=AlAs110re.nonscf.in, output=AlAs110re.nonscf.out) 3) call the postprocessing executable 'pp.x' with the instruction 'plot_num= 5' to generate the STM simulated image with bias potential specified by 'sample_bias=-0.0735'. Intermediate data is collected in file 'AlAsresm-1.0'. A 2-dimensional slice of the image is then extracted and written to 'AlAs110-1.0'. (input=AlAs110.pp_stm-.in, and output=AlAs110.pp_stm-.out) 4) same as point 3) but with positive bias 'sample_bias=0.0735'. Output files: 'AlAsresm+1.0' and 'AlAs110+1.0'. (input=AlAs110.pp_stm+.in, and output=AlAs110.pp_stm+.out) 5-6) produce a postscript file of the simulated STM images by running the executable 'plotrho.x'. This generate the PostScript files 'AlAs110-1.0eV.ps' and 'AlAs110+1.0eV.ps'. (input=AlAs110.plotrho-.in, output=AlAs110.plotrho-.out) (input=AlAs110.plotrho+.in, output=AlAs110.plotrho+.out)