[Pw_forum] Mg pseudopotential

Paolo Giannozzi giannozz at nest.sns.it
Thu Feb 24 09:51:22 CET 2005

On Wednesday 23 February 2005 09:48, Aritz Leonardo wrote:

> Does anybody know how to obtain a norm conserving pseudo
> with linear correction which is NOT ULTRASOFT?

from the web page http://www.pwscf.org/pseudo.htm:
If you do not find here the PP you need, you may try to [...] generate it,
using the PP generation code included in directory atomic/. See directory
atomic_doc/ for available documentation. Other available PP generation
packages include: 

David Vanderbilt's code (UltraSoft PPs) 

The Fritz Haber code (Norm-Conserving PPs) 

José-Luís Martins' code (Norm-Conserving PPs) 

The first two codes produce PPs either in UPF format or in a format that 
can be converted to UPF using the utilities contained in directory upftools.
Remember: always test the PPs on simple test systems before proceeding 
to serious calculations. 

My old version of the 'atomic' code is still available in


Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy

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