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 email id..
Thanking you On Sat, Jun 4, 2016 at 4:57 PM, Javier Junquera <[email protected]> wrote: > > 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 the charge density in real space > > Pay special attention to the variables: > > WriteWaveFunctions > %block WaveFuncKPoints > > Read their meaning and other related variables in the Siesta User Guide. > > Hope this helps, > > Javier > > > > > > 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) > > -- > > > > *Senior research fellow Dept. of Physics, University of Calcutta Kolkata- > 700009, West Bengal, India.* > * Ph no-+91-9830512232* > > > -- *Senior research fellow Dept. of Physics, University of Calcutta Kolkata- 700009, West Bengal, India.* * Ph no-+91-9830512232*
