[Pw_forum] Bug in the QHA code of hexagonal phases

[Uri Argaman]

In the QHA package in the QE 5.0.3 there is a bug in calculating the
q-points grid to the matdyn.x in the DOS calculation using tetra.x . The
ratio c/a reading from the .fc file suppose to be 1/(c/a).
To correct this bug you should change the line
 c2a=`echo "scale=8;$c2a1/2" | bc -l`
in the  [espresso directory]/QHA/Include/Tetrahedra
To
c2a=`echo "scale=8;1/$c2a1/2" | bc -l`

Uri Argaman
Ben-Gurion University
Israel
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