It can be calculated as follows:
Cohesive energy = {total energy of the system - total number of atoms x (sum of
energy of its constituents in atomic state)}/total number of atoms
With Regards
Arun Kumar
Assistant Professor
Deptt of Physics
Govt College Banjar
Kullu
Himachal Pradesh
India
On Sunday, 15 June 2014, 11:48, Suman Chowdhury <[email protected]>
wrote:
Dear siesta user,
How to calculate cohesive energy from siesta output file for a particular
system?
--
Junior research fellow
Dept. of Physics,
University of Calcutta
Kolkata- 700009, West Bengal, India.
Ph no-+91-9830512232
