Please replace line 820 in PP/src/pw_export.f90:
CALL init_us_2(npw, igk_k(1,ik-iks-1), xk(1, ik), vkb)
with:
CALL init_us_2(npw, igk_k(1,ik-iks+1), xk(1, ik), vkb)
I am not sure it will work, but I am sure it cannot work the way it is
Paolo
On Tue, Dec 6, 2016 at
Dear all,
When I try to test the pw_export.x to export the wavefunction of
Example/PW/example01 in qe-6.0, I found the " forrtl: severe (174):
SIGSEGV, segmentation fault occurred."
The 5.4.0 version can give the right S|psi> and |psi>, which are the same
due to the NORM conserve pseudo
