Hi everyone!
I'm trying to use the Grimme dispersion correction in my calculations.
The studied system is CH3NH3PbI3.
Since I'm using the v.5.0.2 (svn rev. 9656) of the program I used the
keyword london='.true.'
The problem is that I have in the output the following lines:
-------------------------------------
Parameters for Dispersion Correction:
-------------------------------------
atom VdW radius C_6
Pb 3.673 *******
I 3.575 *******
C 2.744 60.710
N 2.640 42.670
H 1.892 4.857
Does it mean that C_6 are not defined for Pb and I? Or am I wrong in
something?
Thank you for your answers.
Valentina Cantatore
PostDoc Researcher @ DISIT - Universit? del Piemonte Orientale
Alessandria, Italy
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