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How to compute band edges for bulk materials using vasp ?

Hello!

Could you please be more specific? A simple tutorial on how to get the band structure can be found here:

https://www.vasp.at/tutorials/latest/bulk/part1/

There are also multiple examples in the Wiki here:

https://www.vasp.at/wiki/index.php/Category:Examples

Best,

Andreas Singraber

How to compute work function for bulk materials using vasp ?

Hi,

if you talk about bulk materials, you are referring to 3D periodic materials, hence no vacuum, so no work function calculation possible.
You need surfaces for that.

Hth,

alex

Here is a relevant tutorial https://www.vasp.at/wiki/index.php/Ni_1 ... _precision