Dear All,
First of all, thank you for time to go through this mail.
When calculate the bulk Al(100), I have a problem about the "siesta:
WARNING: Qtot, Tr[D*S] =".
In the output file, it prints” siesta: WARNING: Qtot,
Tr[D*S] = 192.000000 0.000000”.
When searching via the Google, find the below link, but unfortunately the link
seems break down. I wander if anyone could give me a favor to check this, and
forward the email for me. Or give some explanation will be appreciate.
http://www.mail-archive.com/siest...@listserv.uam.es/msg03420.html
Thank you very much.
Best regards,
Wan
