[Pw_forum] Pseudopotential for Hafnium (Hf)
akohlmey at gmail.com
Mon Sep 3 14:40:38 CEST 2012
On Mon, Sep 3, 2012 at 2:30 PM, Romeda Azeen <romeda_8 at yahoo.com> wrote:
> Dear PW Forum,
> I have a question about of pseudopotential of Hafnium Metal.
> I want to do some computation on HfV2 under USPP (Vanderbilt's scheme), but
> I can't find any available USPP of Hafnium.
> What should I do,will you give me some hints/assistant?
if you can't find the pseudopotential, you have to either
make it yourself or find a way to convince somebody to
do it for you. since generation of pseudopotentials can be
tedious and is generally a rather thankless profession,
you may need some very good arguments for the latter.
> Thanks in advance.
> Romeda Azeen
> Bhavnagar University Bhavnagar 364002 Gujarat, India.
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Dr. Axel Kohlmeyer akohlmey at gmail.com http://goo.gl/1wk0
International Centre for Theoretical Physics, Trieste. Italy.
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