Density of States

Density of States (DOS) calculation is another important task, you can also use GVasp to handle its inputs.

Likewise the optimization task, run the command:

gvasp submit dos

Attention

This command only generate the INCAR, KPOINTS, POSCAR and POTCAR files, thus you should prepare other files (e.g. CHGCAR) by yourself.

From finished job

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

gvasp submit dos -C/--continuous

Note

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

apply sequential task

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

gvasp submit dos -s/--sequential

and the task will perform the optimization, charge calculation and DOS calculation in a sequential task.

Note

Sequential task also support the low and analysis options.

Other arguments

Note

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