sylwiagutowska/RKKR_FS
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##### 0. Be sure, that none of bands is cutted from the bottom (the bottom energy HAS TO be set in the band gap). ##### Dont worry if bands are cutted from the top - I can reconstruct it (the top energy HAS NOT TO be set in the band gap) ##### 1. CHANGE COMMAND VARIABLE ##### 2. IN DIRECTORY PUT ##### a) OUTPUT FILE FROM PREVIOUS CYCLE OF RKKR/RCPA (THE NAME OF FILE DOES NOT MATTER, BECAUSE I MAKE GREP *) ##### b) copy filei5 or fileo7 to filei50 AND change last number to "999" ##### 3. CALL this program with python2 rkkr-fermi_surface_color_and_symmetry_obiect.py and answer the questions ##### 4. CALL fermisurfer fermi.frsmf ##### Format of file_frmsf: #first line: nkp x nkp x nkp #second line: control number #third line: number of bands #4-6 lines: reciprocal lattice vectors (in 1/a_B) #then list of columns: # 1. E-ef(eV), 2. linewidth (eV) (if rcpa) or band index (if rkkr) ##### Format of file_lifetime_frmsf: #1-6 lines like in file_frmsf; then # 1. E-ef(eV), 2. lifetime (ps) (if rcpa) or band index (if rkkr) ##### Format of file_mayavi #first line: number of kpoints and number of bands; then: # 1. kx, 2. ky, 3.kz (in 1/a_i units, a_i-lattice constants), 4. E-ef (eV)