[Pw_forum] london=true

Giuseppe Mattioli giuseppe.mattioli at ism.cnr.it
Thu May 7 10:57:00 CEST 2015


Dear Mohammed
The warning substantially says only that in future releases (and this is already true in the case of the present svn version) the variable london will 
be disabled. My advice is to update your input files by using the new syntax, which yields identical results in your 5.1.1 version.
HTH
Giuseppe

On Thursday, May 07, 2015 11:13:59 AM Mohamad Moadeli wrote:
> Dear all,
> 
> I set london=.true. in a pw input file in order to include vdW forces. The
> QE 5.1.1  output is:
> 
> ....
>      Message from routine iosys:
>      london is obsolete, use "vdw_corr='grimme-d2'" instead
> ....
> 
> not seen before in the previous versions. Is it wrong to set london=.true.
> ? Final answers are different?
> 
> Any help will be greatly appreciated.
> 
> Mohammad Moaddeli,
> Shahid Chamran University of Ahvaz, Ahvaz, Iran

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   Giuseppe Mattioli                            
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