[CPMD-list] Format and converter

[Juerg Hutter]

Hi

> One more question about PP formats and converters : is it true that CPMD
> reads the NLCC format if it is directly written in the CPMD format, and can
> not read NLCC if it is in the UPF format ? (even if the NLCC keyword is
> specified in the input file)

This is correct. The UPF format with NLCC is currently not supported.

> If so, and if we want to use NLCC, we have to produce PP in CPMD format, for
> instance with the use of the last converter given by Alex, and not the
> converter fhi2upf given with PWSCF...

Correct again.

regards

Juerg Hutter


>
> Frédéric
>