$useaffinity

$useaffinity = $1daffinity The program used the band offset ratio to calculate the energy difference between two materials. However, the user can use the affinity command to override the use of band offset ratio

For two different materials,the $\mathrm{\Delta }Ec=offse{t}_{ratio}\times (E{g}_A-E{g}_B)$. It will be changed to $\mathrm{\Delta }Ec=({\chi }_A-{\chi }_B)$ Using the affinity can overcome the program where two materials have the same bandgap but different electron affinity.

$useaffinity
${\chi }_1$
${\chi }_2$
${\chi }_3$
${\chi }_4$
${\chi }_5$
.. .. ..
${\chi }_N$

The $useaffinity setting for 1D-DDCC in GUI interface

The parameters are modified in step 4.