[QE-users] Q points weights

[Piotr Szkudlarek]

Dear Quantum Espresso Users and Developers,
I am struggling with calculation of superconducting transition temperature.
The main problem is k- and q-points numbers. It might be worth mentioning
that I am following this instruction (
http://indico.ictp.it/event/8301/session/96/contribution/534/material/0/0.pdf),
but I am applying it to Al calculations.
1. At first, I performed cell size optimization
2. Then I performed scf calculations with 18x18x18 mesh, creating a2Fsave
files.
3. SCF calculations with coarse grid (what are the rules of choosing the
size of this grid? What are the relations between grid sizes?)
4. Phonon calculations using ph.x (how do I choose the number of qpoins?)
5. Post processing using q2r
6. Calculation using matdyn.x number one (how do I choose the points? In
the example they wrote 21 points, but the choice is not explained here)
7. Calculation of electron - phonon coupling constant (how do I choose nk1,
nk2 and nk3?)
8. Critical temperature calculation using lambda.x (Where do I get all the
weights of points from?)
I would be grateful if you could answer my questions.
Yours faithfully,
Piotr Szkudlarek
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