[Pw_forum] optimized Vanderbilt pseudos

Ludwig, Stephan stephan.ludwig at pi1.physik.uni-stuttgart.de
Mon Dec 28 18:21:02 CET 2015


Hello everybody,



i have a question:

I would like to youse optimized normconserving Vanderbilt pseudopotentials from the following webside : http://fpmd.ucdavis.edu/qso/potentials/ <http://fpmd.ucdavis.edu/qso/potentials/> 

Do I have to be careful and  use a higher value for ecutrho like I have to when I use ultrasoft pseudos or is the default value 4*ecutwfc (suitable for normconserving pseudos) Ok for these pseudos.

I'm a little bit puzzeled because on the one hand these are normconserving pseudos on the other hand they are Vanderbilt pseudos.

As anybody experiences with these pseudos?



Thanks and Regards



Stephan

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