[CPMD-list] how to implement k-point with ultra-soft pseudo-potential

Hong Won Keon g0403127 at nus.edu.sg
Tue Feb 22 10:38:34 CET 2005


Hi, lists,

 

I'm trying the Pt slab calculation with Vanderbilt ultra-soft
pseudopotential. 

I used k-points, but the error message say, k-points method is not
implemented in this Vanderbilt USPP.

Is there anyone who knows how to deal with this problem?

 

At the moment, I ran this job without k-points. But anyhow, I think I
need to use k-points.

 

Thanks in advance.

 

Hong wk.

 

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