[Pw_forum] how to create SIC PP for Zn

[sonu kumar]

Dear all QE users,

> i would create a pseudo file with SIC correction for Zn i have
> > prepared an input file and i have set a value for alpha parameters
>
> I don't think that ld1 has this capability yet. From the Doc:
>
>   Variable:       isic
>
>   Type:           INTEGER
>   Description:    0 ... no Self-interaction correction
>                   1 ... apply Self-interaction correction
>   Default:        0
>   Status:         only for all-electron calculation
>
>
> Please notice the last line.
>
>

Then, what is the use of having this flag for ae calculations?
Looking for any hint or explanation...

With kind regards,

-- 
Sonu Kumar

Phd Student
Physics Department
Indian Institute of Technology
Delhi-110016, India
web:-http://www.iitd.ac.in/
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