Hello everybody,
in the example03 about the calc. of e-ph coupling in FCC aluminum,
https://github.com/QEF/q-e/tree/master/PHonon/examples/example03,
at a certain point it writes
5) Calculate gamma on selected lines using "matdyn.x" (dos=.false.)
and in the input files these "selected lines" are indicated as follows:
19
0.000 0.0 0.0 0.0
0.125 0.0 0.0 0.0
0.250 0.0 0.0 0.0
0.375 0.0 0.0 0.0
0.500 0.0 0.0 0.0
0.750 0.0 0.0 0.0
1.000 0.0 0.0 0.0
0.825 0.125 0.125 0.0
0.750 0.250 0.250 0.0
0.625 0.375 0.375 0.0
0.500 0.500 0.500 0.0
0.325 0.325 0.325 0.0
0.250 0.250 0.250 0.0
0.125 0.125 0.125 0.0
0.000 0.000 0.000 0.0
0.125 0.125 0.000 0.0
0.250 0.250 0.000 0.0
0.325 0.325 0.000 0.0
0.500 0.500 0.000 0.0
I kindly ask you:
1. How the lines are identified, do they draw a path connecting each
point or they start from Gamma and reach each point, or...?
2. How to identify these lines in metals with a different structure,
example hexagonal hcp, or in the case the Fermi surface is different
from the one of aluminum even fr the same symmetry?
Thanks in advance
Patrizio
--
Patrizio Graziosi, PhD
Research Scientist
CNR - ISMN
Institute for the Study of Nanostructured Materials
_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
