[Pw_forum] noncolin & projwfc.x (version 5.1.1 & 5.1.2)

[Mohammad Sandoghchi]

Dear Paolo and QE Users

 Actually, I had checked it. The issue is that in QE. ver. 5.0.3 (
k-resolved calculation ) my input files worked without any problem, but
whenever I use ver. 5.1.1 or 5.1.2 ( both k-resolved and fatban
calculation), after getting successful scf and band calculations, and when
I run projwfc.x, I face "forrtl: severe (174): SIGSEGV, segmentation fault
occurred" error.
To overcome this problem, I used "ulimit -s unlimited" but it wasn't useful
too.
Then, I decided to start with PP/example/example02/run_example (because it
works without any problem) and apply the change (nspin = 2  - - >
noncolin=.true.  angle1(1)=0, angle2(1)=0,) to check whether projwfc.x
works with noncolin option or not. But this time I got the following error:

Calling projwave_nc ....
----------------------------------------------------------
     Error in routine projwave_nc (1):
     cannot symmetrize
-----------------------------------------------------------

I'm not an expert and the only one I noticed was that projwfc.f90 has
changed in the QE. 5.1.1 and 5.1.2.

My input files (Pbands) are attached. I used mpif90 (openmpi+ifort) and MKL
to compile and I ran the codes in parallel mode.

Sorry to take your time.

Best regards
Mohammad Sandoghchi
------------------------------
PhD student
Department of Physics
Sharif University of Technology
Tehran, Islamic Republic of Iran
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