Thanks Eric.
Looks like it is working.
I just added an external potential folded in the same way as vxc or vHartree, to vtrial wherever it was being calculated
in the three subroutines you had pointed out.
Search found 2 matches
- Fri Apr 27, 2018 2:13 pm
- Forum: Improving ABINIT
- Topic: Adding user defined external potential
- Replies: 2
- Views: 9846
- Wed Apr 25, 2018 2:36 pm
- Forum: Improving ABINIT
- Topic: Adding user defined external potential
- Replies: 2
- Views: 9846
Adding user defined external potential
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 modu...