[Pw_forum] how to include non local functional for van der waal correction
Giovanni Cantele
giovanni.cantele at spin.cnr.it
Wed Feb 1 14:50:13 CET 2017
see
qe-6.0/Examples/PW/vdwDF_example
http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html#idm6243792 <http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html#idm6243792>
qe-6.0/Modules/funct.f90
Giovanni
> On 1 Feb 2017, at 14:43, VineetKumar Pandey <vineetkumar.pandey at students.iiserpune.ac.in> wrote:
>
> which flags should i add in my input file if i have to do some calculation like band structure using vdw with some non local functional
>
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--
Giovanni Cantele, PhD
CNR-SPIN
c/o Dipartimento di Fisica
Universita' di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
e-mail: giovanni.cantele at spin.cnr.it
Phone: +39 081 676910
Skype contact: giocan74
ResearcherID: http://www.researcherid.com/rid/A-1951-2009
Web page: http://people.na.infn.it/~cantele
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