Hi
What analytical methods can be used to qualitatively or quantitatively describe
the covalent interactions between atoms in different functionalized
graphene/metal substrate heterostructures?Integrate the hybrid peak of PDOS？The
width of pseudogap of TDOS？ Bader charge population analysis?ELF？bond order?
Wei gui
School of Mechanical Engineering，Chongqing University, China
_______________________________________________
users mailing list
[email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
