Dear Nadia,
I must admit that I am not very sure what quantity you want to calculate. Of
course, you cannot just compare the energy of two systems with different number
of electrons.
It sounds to me that you want to calculate something like an adsorption energy
which is in the context of DFT us
Dear Siesta users,
I have been trying to install siesta-3.2-pl3 in a cluster computer in
parallel. I have already installed the same in another server computer, but
faced no issues then. But this time at the final 'make' command I am
getting the following list of errors:
