[Pw_forum] Pseudo potentials for hybrid DFT

Vo, Trinh (388C) Trinh.Vo at jpl.nasa.gov
Mon Apr 18 19:21:16 CEST 2011


Hi All,

I am sorry.  I sent the slides to a colaborator, but I made a mistake.
Please ignore my previous email.

Trinh


On 4/18/11 9:36 AM, "Paolo Giannozzi" <giannozz at democritos.it> wrote:

> 
> On Apr 18, 2011, at 18:25 , Eyvaz Isaev wrote:
> 
>>  Variable:       input_dft
>>  [...]
>> But as far as I remember this works (at least, worked) for norm-
>> conserving pseudopotentials only.
> 
> just a remark: hybrid functionals work only for norm-conserving
> pseudopotentials,
> but variable input_dft works in all cases
> 
> Paolo
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
> 
> 
> 
> 
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