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

[Lorenzo Paulatto]

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


 >     pseudo_dir   = '/home/sayan/Desktop/espresso-4.3.2/pseudo',

Are you using espresso 4.3.2? If yes, I would recommend upgrading to a 
more recent version! If it is a bug in the code, it would be quite a 
waste of time for any of us to fix it in such an old version.



> 
> 
> Thanking you in advance,
> 
> Sayan Chaudhuri
> Research Scholar
> IIT Indore
> 
> 
> 
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-- 
Lorenzo Paulatto - Paris