[Pw_forum] Problem with Starting_magnetization

[sayan chaudhuri]

Hi,
This is Sayan. I am new to Quantum espresso.
I want to calculate DOS structure for a magnetic system and need to use the
starting_magnetization parameter.
I am confused since I read it can be calculated for individual atom in the
system by applying the following formula,
(NVU - NVD)/(NVU+NVD) (NVD and NVU are the number of no. of valance
electron in up and down state).
and it should be within -1 to +1.
Now applying the formula how can possibly it be -ve?
And also in some tutorial I have seen that for Silicon the value of the
parameter has been used as 0.7, which should be 0.5 if I follow the
formula.
It will very helpful if somebody can tell me what is the exact procedure to
calculate the same.
Thanks in advance.

Sayan Chaudhuri
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160604/e3359780/attachment.html>