Differences

This shows you the differences between two versions of the page.

--- band_structure [2009/11/25 23:02]
jelen
+++ band_structure [2014/10/20 12:42] (current)
@@ Line 18: / Line 18: @@
    Fermi Level =   -4.33045968490834
-In next step, we run the ''FIREBALL'' code again, but now with fixed charges (**''ifixcharge = 1''**) and with a new set of k-points in desired high-symmetry directions in the first Brillouin zone. Remember we need having **''CHARGES''** file in a working directory for a restart. In this particular case,we have chosen a direction ''L-Γ-X-Γ'' stored in a **''lgxg.kpts''** file (see also fig. 1).
+In next step, we run the ''FIREBALL'' code again, but now with fixed charges (**''ifixcharge = 1''**) and with a new set of k-points in desired high-symmetry directions in the first Brillouin zone. Remember we need having **''CHARGES''** file in a working directory for a restart. In this particular case,we have chosen a direction ''L-Γ-X-Γ'' stored in a **''{{:lgxg.kpts|lgxg.kpts}}''** file (see also fig. 1).
@@ Line 55: / Line 55: @@
   multiplot> plot "ek.dat" using 1:7 with lines
-{{:si-bulk:si-bulk.png|Si-bulk Band Structure}}
+{{:si-bulk:si-bulk.png?400|Si-bulk Band Structure}}
 ===== DOS =====
@@ Line 95: / Line 96: @@
   gnuplot>  plot "dens_TOT.dat" using 2:1 title 'Total DOS' with lines, \
             "dens_001.dat" using 11:1 title 'PDOS Si atom ' with lines
+{{:si-bulk:pdos-si_bulk.png?400|DOS Si Bulk}}

Nanosurf Lab