Dear all,
I am running a phonon dispersion simulation.
My scf calculation was done without errors. K_POINTS were set as 9 9 3 0 0 0,
and the simulation was running on 16 processors (4:4).
Right after I started the ph.x simulation with nq1=6, nq2=6, nq3=6, it crashed
with an error message,
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Parallel version (MPI), running on 16 processors
R & G space division: proc/pool = 16
Ultrasoft (Vanderbilt) Pseudopotentials
Info: using nr1, nr2, nr3 values from input
Info: using nr1s, nr2s, nr3s values from input
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from checkallsym : error # 3
not orthogonal operation
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
-------------------------------------------------------------------------------------------------------------
I looked up for the similar issues, but there was no problems like this with
'ph.x' simulation.
Please suggest me any solutions.
Thank you.
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