--- On Mon, 18/7/11, Dr. Mohan L. Verma <drmoha...@yahoo.com> wrote:
From: Dr. Mohan L. Verma <drmoha...@yahoo.com> Subject: regarding the dispersion of ions in conducting polymers To: siesta-l@uam.es Date: Monday, 18 July, 2011, 1:45 AM Dear all siesta users and developers I am interested to study the change in the electronic structure of an ion dispersed (eg. Ag+ K= etc.) conducting polymers. My doubts are : 1. Is this possible using siesta? 2. I am submitting here an input file in which Ag and I atoms are dispersed in PEO. What necessary correction should be made to fulfill my aim? 3. Should I have a pseudopotenials for ions? 4. May I get detailed help from anyone who can suggest me literature for the same Thanking you all in advanced. Yours truly Mohan L Verma Computational Nanoionics research laboratory Shri Shankaracharya Group of Institution-Junwani Bhilai (Chhattisgarh) INDIA 490020 email : drmoha...@yahoo.com, ml.ve...@sscet.ac.in
peo5agi.fdf
Description: application/vnd.fdf
