[Pw_forum] Dispersion_correction parameter for Platinum

[Pallavi Bothra]

Dear all,
             I want to study dispersion correction for Platium surface
using espresso 5.0.2. My input file is as follows :
/
 &SYSTEM
                       ibrav = 0,
                   celldm(1) = 6.654
                         nat = 41,
                        ntyp = 4,
                     ecutwfc = 40 ,
                     ecutrho = 400 ,
                 occupations = 'smearing' ,
                     degauss = 0.01 ,
                    smearing = 'marzari-vanderbilt' ,
                       nspin = 2 ,
    starting_magnetization(1) = 0.5 ,
    starting_magnetization(2) = 0.5 ,
                      london = .TRUE.

/
 &ELECTRONS
              electron_maxstep = 1000 ,
                 conv_thr = 1.0d-8
                 mixing_beta = 0.2 ,
               mixing_mode = 'local-TF',
               mixing_ndim = 10 ,
            diagonalization = 'cg'
 /
 &IONS
               upscale = 1000 ,

 /
ATOMIC_SPECIES
   Ni  58.6934    Ni.pbe-nd-rrkjus.UPF
   Pt  195.084    Pt.pbe-nd-rrkjus.UPF
   C   12.0107    C.pbe-rrkjus.UPF
   H   1.00794    H.pbe-rrkjus.UPF
...............
................

But in output file while printing in C_6 value it is showing ********

That means dispersion correction has not been taken into account.

Can anyone please suggest me what should I do?

Thanks a lot

Regards
Pallavi Bothra
Graduate student
JNCASR, Bangalore
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