[QE-users] Help: Charge is wrong error in SCF calculation

[sayan chaudhuri]

Dear QE exparts,

 I am running the an SCF calculation for an alloy system. But every time
the calculation is stopping at first iteration with the error message
from electrons : error #         1
     charge is wrong

I have tried to run the code with an increased value of *ecutrho* as was
suggested in a question in forum, but it did not help.

The same code is running without problem in my laptop, and also if I change
the position of Cr atom it is running without any error.

Please help me resolving the issue. I am attaching the input and output
files.


Thanking you in advance,

Sayan Chaudhuri
Research Scholar
IIT Indore
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