[Pw_forum] How to color RDG plots (plot_num = 19)

Dear all, does anyone know how to colorize the RDG plots(plot_num = 19) to show attractive or repulsive interactions? I tried plot_num = 20, but it gives the colored charge density, not the lenticular structures of nonbonding interactions. Thanks in advance, -- Rajdeep Banerjee PhD s

Re: [Pw_forum] How to calculate Born effective charges ?

Check manual¡ De: pw_forum-boun...@pwscf.org en nombre de Mojtaba Mirseraji Enviado: martes, 23 de junio de 2015 08:49 a. m. Para: Pw_forum@pwscf.org Asunto: [Pw_forum] How to calculate Born effective charges ? Dear ESPRESSO users and developers I wan

[Pw_forum] How to calculate Born effective charges ?

Dear ESPRESSO users and developers I want to know how to calculate Born effective charges for all ions and atoms ! Do you have any good paper that explain them step by step and easily? Regards Mojtaba Mirseraji Ph.D. Candidate Physics Department Arak Univ. I.R.IRAN __

[Pw_forum] How to calculate elastic constants?

Dear ESPRESSO users and developers I want to know how to calculate elastic constants (C33, C12, C13,C44,C66 ...) ! Do you have any good paper that explain them step by step and easily? Regards Mojtaba Mirseraji Ph.D. Candidate Physics Department Arak Univ. I.R.IRAN __

[Pw_forum] How to calculate piezoelectric constants

Dear ESPRESSO users and developers I want to know how to calculate piezoelectric constants (d33, d31, d15, ...) ! Do you have any good paper that explain them step by step and easily? Regards Mojtaba Mirseraji Ph.D. Candidate Physics Department Arak Univ. I.R.IRAN ___