[QE-users] ph problem

[2400169 at stu.neu.edu.cn]

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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