Adding user defined external potential
Posted: Wed Apr 25, 2018 2:36 pm
Not sure if it is worth a new topic.
I wish to introduce external potential of specific profiles to create inhomogeneity in charge density.
In quantum espresso I can do this easily by modifying the add_efield subroutine.
Would like to do the same in Abinit to be able to use some post-processing modules available with Abinit.
I could see that modifying vlocal can be a possibility but not sure at what level.
Kindly suggest possibilities.
I wish to introduce external potential of specific profiles to create inhomogeneity in charge density.
In quantum espresso I can do this easily by modifying the add_efield subroutine.
Would like to do the same in Abinit to be able to use some post-processing modules available with Abinit.
I could see that modifying vlocal can be a possibility but not sure at what level.
Kindly suggest possibilities.