[QE-users] NON CONVERGENCE OF PHONON CALCULATION DUE TO LIMITED NUMBER OF ITERATIONSR

[Christoph Wolf]

At first glance your system is 2-dimensional but you sample out-of plane
for ph.in (q3=3).

try an appropriate q-mesh such as 3x3x1, 5x5x1, ... You can see that the
convergence problem occurs at a q-point that is out of plane:

                  q = (   0.0000000   0.0000000   0.1059000 )

HTH,

Chris


-- 
Postdoctoral Researcher
Center for Quantum Nanoscience, Institute for Basic Science
Ewha Womans University, Seoul, South Korea
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