Dear users,
1. I was wondering how to calculate the absolute value of fermi
energy for graphene single layer. By varying the size of the super cell in the
out of plane direction, i observed that the total energy is constant indicating
no interactions in the out of plane direction, but the fermi energy is varying
with increasing distance. I think it is the relative fermi energy which is
output after the scf calculation. I want to know the absolute value.
2. Another question i have is regarding the e-ph calculation. For a
give set of q and k points, what is the best way to ensure that all k+q points
are available to avoid the message " q is not a vector in the dense grid" in
the calculations"? I observed that using a dense grid is not enough sometimes.
Do we have to check it outside of the quantum espresso before the calculation
begins?
Thanks
Ajit
