[Pw_forum] Two problems for pseuodopotential choosing

wjyin at fudan.edu.cn wjyin at fudan.edu.cn
Sun May 8 09:42:12 CEST 2005

Dear all,
    I have encountered problems about pseudopotential.
    One is,
    I just want to use the well-know simple BHS pseuodopotential which 
parameters is directly given by Bachelet,Hamann and Schluter in 1982, 
rather than ones generated by all-electron calculation again. 
   Could any pseudopotential generation software generate this simple 
BHS psp just from the given parameters in 1982 which could also be 
used by PWSCF.
    The other is,
    Is there any input parameter which determins the maximum angle 
momentum for used pseudopotential. For a simple example, I just want 
to use l=0 pseudopotential for all valence electrons calculation.
    Your help will be greatly appreciated!

Yin Wanjian

More information about the users mailing list