HI EVERYONE
I AM NEW TO SIESTA. I WANT TO FIND THE ADSORPTON OF SMALL GAS MOLICULES ON MOS2. I WANT TO OPTIMIZED BOTH STRUCTURE. I WRITE MoS2 FDF FILE. I WANT YOU TO HELP ME AND GUIDE ME WETHER I WRITE THIS FILE CORRECT OR NOT. IF I AM MISSING SOMETHING PLZ GUIDE .YOUR HELP WILL BE MUCH APPRECIATED. I ATTACHED MY FDF FILE ALONG WITH THIS MAIL. THANKS REGARDS RIAZ AHMAD
mos2.fdf
Description: application/vnd.fdf
