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 : [email protected], [email protected]
peo5agi.fdf
Description: application/vnd.fdf
