Dear QE users
I set the ecutwfc parameter in the 2D Nb2Se2C structure in the SCF calculation
to 100 (I suspect the problem is related to this, but I'm not sure, as I'm a
beginner)and K's grid is 16x16x1.. After the SCF calculation, I attached the
parameters I set in the PH file here. When I tried to run the PH file, I
encountered the following problems.
Error in routine potinit (1):
starting and expected charges differ
thanking you
--
fanjingyi a student from The Northeastern University
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