[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 london is obsolete, use "vdw_corr='grimme-d2'" instead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
********************************************************
- Article premier - Les hommes naissent et demeurent
libres et ègaux en droits. Les distinctions sociales
ne peuvent être fondèes que sur l'utilitè commune
- Article 2 - Le but de toute association politique
est la conservation des droits naturels et
imprescriptibles de l'homme. Ces droits sont la libertè,
la propriètè, la sùretè et la rèsistance à l'oppression.
********************************************************
Giuseppe Mattioli
CNR - ISTITUTO DI STRUTTURA DELLA MATERIA
v. Salaria Km 29,300 - C.P. 10
I 00015 - Monterotondo Stazione (RM), Italy
Tel + 39 06 90672836 - Fax +39 06 90672316
E-mail: <giuseppe.mattioli at ism.cnr.it>
http://www.ism.cnr.it/english/staff/mattiolig
ResearcherID: F-6308-2012
More information about the users
mailing list