302

Occupation n(k)

Posted on : July 07, 2017 (Fri) 20:25:41

by Stephen Dugdale

Dear Colleagues,

I'd like to extract the occupation (the number of states) at a particular k-point by integrating the Bloch spectral function over the (complex) energy contour

i.e.

n (k) = \int_{0}^{E_Fermi} A_B(k,E) dE

Am I correct that the array "spctrl" contains the Bloch spectral function?
And where can I find the weights to do the integral?