[Pw_forum] How to use vdW-df in QE?

Karim Elgammal egkarim at gmail.com
Tue Oct 24 16:06:03 CEST 2017


Hi Saif;
to the extend of my limited experience; yes, you can use by changing the
input_dft and ofcourse generating the vdW kernel
using generate_vdW_kernel_table.x before you start your calculation..

input_dft: will override the functional definition in your input PPs...

note: wait also for opinions from experts here, I am just sharing my
experience.

Karim Elgammal
KTH
Sweden
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