[Pw_forum] Exchange-correlation = ?

[Stefano de Gironcoli]

>
>
>I check it with new type of pseudo. It looks as:
> Exchange-correlation      =  SLA  PZ   NOGX NOGC (1100)
>
>I really can use only old format of pseudo. Is it error:Exchange-correlation      = ? (1100)
>
>  
>
There is no error.
 (1100)  is the internal encoding of SLA PZ NOGX NOGC and the code uses 
only this information.

In the new pseudopotential format exchange-correlation is written as a 
human meaningful string,
(sort of, like SLA PZ NOGX NOGC ) and is converted to the four digit 
encoding inside the code.
In the old pseudopotential version exchange-correlation was given 
directly in the internal encoding.
The question mark you get on output from PWSCF when using the old format 
simply says that the
human meaningful string is missing.

There are a number of  converters from the old to the new format in the 
subdirectory upftools

Stefano de Gironcoli