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 london is obsolete, use "vdw_corr='grimme-d2'" instead 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: <[email protected]> http://www.ism.cnr.it/english/staff/mattiolig ResearcherID: F-6308-2012 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
