[QE-users] define C6 parameter at QE 6.1london_c6(i), i=1,ntyp

Hakkim Vovusha hakkim.vovusha at kaust.edu.sa
Wed Mar 13 08:46:55 CET 2019


Dear All,

I am using QE 6.1, i need to define C6 parameter for different atoms(Ca, C,
and O) in my system using option: london_c6(i), i=1,ntyp
can any one tell me how to use "london_c6(i), i=1,ntyp" tag to define C6
parameter in the input file?. Thank you.

Regards
hakkim

-- 
Dr. V. Hakkim
Postdoctoral Researcher,
Physical Science and Engineering (PSE) division,
King Abdullah University of Science and Technology (KAUST),
Thuwal, Kingdom of Saudi Arabia (KSA)
Mob: +966540376265
E-mail: hakkim.vovusha at kaust.edu.sa
            vhakkim at gmail.com
Web:https://cpms.kaust.edu.sa/Pages/hakkim.aspx

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