Thank you very much Paolo,
Best
Andrea
> The correct DFT label for rVV10 is "rVV10", not "vv10". By
> setting "vv10", all you get is the nonlocal part, with no
> other XC contributions. The output is misleading:
> Exchange-correlation = VV10 ( 0 0 0 0 3)
> but the four 0's mean
The correct DFT label for rVV10 is "rVV10", not "vv10". By
setting "vv10", all you get is the nonlocal part, with no
other XC contributions. The output is misleading:
Exchange-correlation = VV10 ( 0 0 0 0 3)
but the four 0's mean respectively "no exchange", "no correlation",
"no
Dear quantum-ESPRESSO users,
I am running some calculations with espresso 5.1 and the van der Waals
rVV10 functional.
First, with the program:
generate_rVV10_kernel_table.x
I generated the universal file:
rVV10_kernel_table
Then I tried three systems up to now,
1. two water molecules
