Work Function

Work Function (WF) calculation is another important task, you can also use GVasp to handle its inputs.

Likewise the optimization task, run the command:

gvasp submit wf

From finished job

Meantime, you can also start a wf task from a finished job which has the CONTCAR file, and the GVasp will auto generate the inputs for this task, just run the following command:

gvasp submit wf -C/--continuous

Note

This feature is also support for the chg and dos tasks.

apply sequential task

If you finally want to perform the WF calculation, we recommend you use the following command:

gvasp submit wf -s/--sequential

and the task will perform the optimization and WF calculation in a sequential task.

Note

Sequential task also support the low option.

Other arguments

Note

More information of other arguments can be seen in optimization task.