[Pw_forum] Any special treatments for DFT-D2 and DFT-TS ?

[Paolo Giannozzi]

On Wed, Jul 8, 2015 at 6:02 PM, Francesco Pelizza <
francesco.pelizza at strath.ac.uk> wrote:

>
> I am wondering if when you want to use the input_dft='dft+d2'
> input_dft='dft+ts'
>

did you really wrote in input  " input_dft='dft+d2' " or 'dft+ts'? then
1) you shouldn't: input_dft should be used only to set van der Waals
non-local functionals; all other cases (semiempirical van der Waals
corrections) are sety using variable "vdw_corr".
2) you shouldn't use an old version of the code (newer ones check for
nonexistent DFT)

Paolo



-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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