Dear users. I was wondering if I could get some help regarding the induced charge density at a surface due to a phonon at a specific q-point.
The surface is based on the slab model. For a specific mode (surface mode) at a specific q-parallel-point (SBZ zone boundary) I would like to extract the induced charge density in real space along the slab z-axis, delta-n(R,z) where R=(x,y) (a point i the slab plane). I have tried with some lighter examples to use and try to understand the option in INPUT_PH namely fildrho. All this gave was a lot of zeros, regardless at which q-point this was done. Any explanations why? I've would be pleased for any ideas of how to access this problem and how to get the desired charge density in real space. Thank you in advance. Best regards Vasse -- ___________________________________ Vasile Chis, Ph.D Student Interface Modelling Group Department of Physics G?teborgs Universitet Fysikg?rden 6B S-412 96 G?teborg, SWEDEN tel :+46 (0) 31 7723338 mobile :+46 (0) 70 8348867 fax. :+46 (0) 31 7723367 email :Vasile.Chis at physics.gu.se ___________________________________
