[Pw_forum] PBE PP with Van.Code

Vasile Chis cvasse at fy.chalmers.se
Thu May 13 18:06:21 CEST 2004


Dear PWSCF users and developers,

I have been struggling with the generation of a pseudopotential using 
the Vanderbilt code. (First time user)
I'm trying to generate a GGA-PBE ultrasoft PP for Cesium. (I know it's 
not a easy task)
My problem in generating the PP is the convergence of the last state 
when solving the Sch-equation.
I've been testing both with 1 valence el. and with 9 valence el. Both 
giving the same result.

Is there anybody how has encontered the same problem and have some advice?
Or is there any of you how has the PBE PP for Cesium?

Sorry if the formulation of my questions/problem is kind of diffuse.

Best regards.
/Vasile

-- 
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Vasile Chis
-*Interface Modelling Group*-
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