scnc
/
quantum-espresso
mirror of https://gitlab.com/QEF/q-e.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity
quantum-espresso/CPV/examples/example05
History
Paolo Giannozzi 6148f5e5c5 Obscure line present in all examples replaced with a much simpler one. 
See https://stackoverflow.com/questions/50148175/what-does-cd-echo-0-sed-s-1-do-in-bash-script

Note: some trailing blanks have been removed as well by the script I used.
Use "git diff -b" to see only the true changes.
 		2022-09-03 11:53:33 +02:00
..
reference CPV changed in dir structure. Working src, examples and tests 2011-08-25 12:46:21 +00:00
README CPV changed in dir structure. Working src, examples and tests 2011-08-25 12:46:21 +00:00
run_example Obscure line present in all examples replaced with a much simpler one. 2022-09-03 11:53:33 +02:00

README 

This example shows how to use cp.x to calculate Wannier functions and
to perform dynamics with an external electric field.
(contributed by Manu Sharma)

The first calculation runs a cp with Wannier functions and generates
from scratch the Wannier orbitals for a water molecule.

The second calculation then applies an electric field in the
z-direction to this water molecule. The molecule should oscillate
about the applied electric field.