[QE-users] QE LDA+U+SOC converge and Error in routine read_scf (1):Reading ldaU ns

[Hong Tang]

Dear QE masters:

I have a ribbon system. In the scf run, I first use
LDA+U+noncollinear+noSOC, to converge to  conv_thr = 1.0d-10. Then I use
LDA+U+noncollinear+SOC to continue the scf, but it is difficult to
converge, I got it converge to  conv_thr = 1.0d-5. Then I based on the
results to do nscf (bands) calculation, but I got error:
     Estimated max dynamical RAM per process >     909.22 MB

     Estimated total dynamical RAM >     142.07 GB
     Generating pointlists ...
     new r_m :   0.0371 (alat units)  2.1028 (a.u.) for type    1
     new r_m :   0.0371 (alat units)  2.1028 (a.u.) for type    2

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine read_scf (1):
     Reading ldaU ns
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%


 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine read_scf (1):

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine read_scf (1):
     Reading ldaU ns
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...



Could you please let me know how to fix the issue?
I appreciate your help very much.

Best,
Hong
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