[Pw_forum] Fwd: inconsistent DFT read

Prasenjit Ghosh prasenjit.jnc at gmail.com
Tue Mar 3 14:12:21 CET 2009


> The error is related to the different kind of pseudopotentials used in
> the second run (some LDA, some GGA). The code prevents you from
> doing that, you can overcome this by commenting the corrsponding lines
> in the source code.
>
> This is dangerous to do!!!!!..........One shouldn't mix two types of
exchange -correlation......Mixing of pseudopotentials are allowed provided
they use same exchange correlation functional.




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