Re: [SIESTA-L] Real and imaginary part of the wavefunction as a function of energy

2016-06-04 Por tôpico Suman Chowdhury
Dear Prof. Junquera, Thank you sooo much for your reply. Sir can I get your email id. Because "javier.junquera -- unican es" one is not working. I want to ask you some siesta related question and also some post doc related questions. If you do not have any problem, can you please provide me your

Re: [SIESTA-L] Real and imaginary part of the wavefunction as a function of energy

2016-06-04 Por tôpico Javier Junquera
Dear Suman: Take a look to the self-explained exercise at: http://personales.unican.es/junqueraj and follow the links: - A self-explained Siesta tutorial - Set of self-explained Siesta exercises - Computing structural and electronic properties of materials - Exercise 2: analysis of

[SIESTA-L] Real and imaginary part of the wavefunction as a function of energy

2016-06-04 Por tôpico Suman Chowdhury
Dear siesta user. I need the real and imaginary part of the wavefunction as a function of energy. Is it possible to retrieve separately the real and imaginary part of the wavefucntion from siesta. Please look into the following paper for this: Raymond Atta Fynn et al PRB 69 085207 (2004) --