https://nanosurf.fzu.cz/wiki/ 2026-04-18T15:11:54+0200 https://nanosurf.fzu.cz/wiki/ https://nanosurf.fzu.cz/wiki/lib/tpl/dokuwiki/images/favicon.ico text/html 2011-02-18T13:13:00+0200 Anonymous (anonymous@undisclosed.example.com) https://nanosurf.fzu.cz/wiki/doku.php?id=graphene:electronic_structure&rev=1298031180&do=diff Band structure plot In previous section we optimized the lattice parameter of graphene. In this section we show how to generate the band structure at given high-symmetry directions. We follow the same procedure as in the previous case of the Silicon bulk: text/html 2015-05-28T15:51:00+0200 Anonymous (anonymous@undisclosed.example.com) https://nanosurf.fzu.cz/wiki/doku.php?id=graphene:structure_optimization&rev=1432821060&do=diff script file alat=" 2.0 2.1 2.2 2.3 2.4 2.5 2.6 2.7 2.8 2.9 3.0" for i in $alat; do echo $i mkdir $i lattice="`echo $i`"; sed "s/AAA/$lattice/g" fireball.sample > fireball.in; ./runTG.com > a-$i.out grep "etot/atom" a-$i.out | cut -b50-65 mv CHARGES $i/ mv a-$i.out $i/ done