[Pw_forum] How to generate a new PP with fractional charge?

[Lorenzo Paulatto]

Replying to message "[Pw_forum] How to generate a new PP with fractional  
charge?" from Alexis Amezaga (08/03/10):
> Someone can suggest me how can I generate a PseudoPotential with  
> fractional
> charge?

In the input file for ld1.x you can specify fractional occupations for the  
orbitals (you have to do it for the all-electron configuration, the pseudo  
configuration will follow).

regards


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