Calculator
Introduction
pw
The pw_calculator is the task to wrap the espresso calculator. Let’s visualize the task to find the inputs and outputs of the task.
[1]:
from workgraph_collections.ase.espresso.base import pw_calculator
task = pw_calculator.task()
task.to_html()
[1]:
dos
[2]:
from workgraph_collections.ase.espresso.base import dos_calculator
task = dos_calculator.task()
task.to_html()
[2]:
projwfc
[3]:
from workgraph_collections.ase.espresso.base import projwfc_calculator
task = projwfc_calculator.task()
task.to_html()
[3]:
pp
[4]:
from workgraph_collections.ase.espresso.base import pp_calculator
task = pp_calculator.task()
task.to_html()
[4]: