[Pw_forum] complex band

[Paolo Giannozzi]

On Jan 6, 2009, at 1:31 , Manoj Srivastava wrote:

> The complex band code of PWSCF is based on Choi & Ihm's paper,  
> which uses
> Kleinmann Bylandar pseudopotential. But, the code can work for  ultra
> soft pseuodpotential as well. My question is what are the extra  
> steps i
> need to take to change from KB to USPP?

try this:
     title = {Ballistic conductance of magnetic Co and Ni nanowires with
             ultrasoft pseudopotentials},
     author = {A. Smogunov and A. Dal Corso and E. Tosatti},
     journal = {Phys. Rev. B},
     volume = {70},
     pages= {045417},
     year = 2004}

Paolo
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Paolo Giannozzi, Democritos and University of Udine, Italy