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 >
