neutrinofrancese at gmail.com
Wed Sep 17 19:22:32 CEST 2014
Dear all QE users,
can someone explain to me how i can establish or understand, after projwfc.x run, which kind of hybridization level PDOS files contains. I followed the instructions, and the program has listed the number of valence levels, e.g. 5s 5p ecc as i can see in the pseudopotential used, every with a different PDOS contribution.
Is it sufficient to define the hybridization type?
I'm sorry to bother you with such trivial questions, but I'd like to better understand this issue.
Thanks in advance,
Università Cà Foscari di Venezia
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the users