Dear PW Forum,
I have a question about of pseudopotential
of titanium metal with following details:
Name: Ti.pbe-sp-van_ak.UPF
Link:
http://www.quantum-espresso.org/wp-content/uploads/upf_files/Ti.pbe-sp-van_ak.UPF
As can be seen in body text of this pseudopotential,
the number of valance electron of Ti is set to 12, but the occupation number is
11. I'm confused. What is the correct number of valance electron for Ti?
Will you give me some assistant?
Thanks in advance.
--
Romeda Azeen
Bhavnagar University Bhavnagar 364002
Gujarat, India.
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