For all users of SIESTA: I want to calculate a system which one of its atoms is a ion. What is the correct?, to specify it on basis block or modify the pseudo of the ion? or both thing?
I would thank you any help. Edgar Martinez ________________________________________________________________ Message sent using Telaen Webmail 1.2.0-beta1 -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean.
