![]() ![]() Get_tmargin(row) = (top_margin - (row - 1) * gap_size_y - (row-1) * ((top_margin - bottom_margin - gap_size_y * row_count) / row_count)) Get_rmargin(col) = (left_margin (col - 1) * gap_size_x col * ((right_margin - left_margin)-(col_count - 1) * gap_size_x)/col_count) Get_lmargin(col) = (left_margin (col - 1) * (gap_size_x ((right_margin - left_margin)-(col_count - 1) * gap_size_x)/col_count)) Sprintf('col_count = %d row_count = %d gap_size_x = %f gap_size_y = %f', cols, rows, dx, dy) Sprintf('left_margin = %f right_margin = %f top_margin = %f bottom_margin = %f ', left, right, top, bottom). (used to have more than one graph) init_margins(left, right, bottom, top, dx, dy, rows, cols) = \ "BN-Ni-p5-d-Ni-4s.dat" using 2:1 with lines lt 1 lc rgb "orange" lw 1.5 title "" Set arrow 4 from a_xmax,-6.0 to a_xmax,-5.8 head nofilled size screen 0.03,15 dt 1 lc rgb "black" lw 1.5 # Up Set arrow 3 from a_xmin,-5.8 to a_xmin,-6.0 head nofilled size screen 0.03,15 dt 1 lc rgb "black" lw 1.5 # Down Set arrow 2 from 0,-6.1 to 0,-0.1 nohead dt 1 lc rgb "gray" lw 1.5Ī_xmin = PDOSMETAL_min - 0.17 * PDOSMETAL_minĪ_xmax = PDOSMETAL_max - 0.17 * PDOSMETAL_max Set arrow 1 from PDOSMETAL_min,FERMI_METAL to PDOSMETAL_max,FERMI_METAL nohead dt 2 lc rgb "green" lw 1.5 Set xtics (gprintf("%1.1f",PDOSMETAL_min) PDOSMETAL_min, gprintf("%1.1f",PDOSMETAL_max) PDOSMETAL_max) offset 0.0, 0.5 "BN-Ni-p5-d-N86.dat" using 2:1 with lines lt 1 lc rgb "dark-yellow" lw 1.5 title "" Set title "(a) BN pristine" offset 0.0, -0.5 Set key off # texto associado a data no grafico # left, right, bottom, top, dx, dy, rows, cols # Input data para fazer os gráficos, escalas de forma #īANDS_PRISTINE_down = "BN-puro-b-down.dat" (the file consist in three column with energy DOS_spin_up DOS_spin_down) # (the file consist in three columns with k energy spin) # GNUBANDS: Utility for SIESTA to transform bands output into Gnuplot format I will share here the script I use to plot bands/DOS/PDOS from SIESTA output.Īfter working with thee raw output from SIESTA, if a spin polarized calculation was done, we have two files (one for each spin) for the bands in the form: ![]()
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