[QE-users] Wavefunction plot in pp.x

[David Yao ANSI]

Dear Developers and Users, 



I have been exploring the functionalities of Quantum Espresso's pp.x module and have come across a couple of questions regarding the visualization of wave function contributions to the charge density. 

Firstly, I would like to understand the difference between Quantum Espresso's "contribution of selected wave functions to the charge density" feature and VASP's "Band decomposed charge density." Both methods seem to provide insights into the wave function's influence on the charge density, but I would appreciate clarification on any distinctions or nuances between the two. 

Additionally, I have noticed that Quantum Espresso restricts the combination of a maximum of 7 wave functions. I am curious if there is a way to increase this limit, perhaps by modifying the associated Fortran code. Any guidance or suggestions on this matter would be highly appreciated. 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20230517/048774f1/attachment.html>