Files for Tutorial Session 1

[Silane Input SiH4.dat]

[Silane Output SiH4.out Ec=300eV]

[Silane Output SiH4.out Ec=600eV]

[Crystalline Silicon Input Si64.dat]

[Crystalline Silicon Output Si64.out_016]

[Crystalline Silicon Input Si1000.dat]

[Crystalline Silicon Output Si1000.out_064_no_grid_alignment]

[Crystalline Silicon Output Si1000.out_064_grid_aligned]

[Crystalline Silicon Input Si8000.dat]

[Crystalline Silicon Output Si8000.out_256 Δ] <-- coming soon

Files for Tutorial Session 2

[Ethene atomic positions (bohr)]

[Sucrose atomic positions (bohr)]

[Sucrose input file]

[CNT_ammonia atomic positions (bohr)]

[CNT_ammonia input file]

[Script file: geom2xyz.pl]