<div dir="ltr"><div><div><div><div><div><div><div><div><div><div>Dear all,<br></div>             I want to study dispersion correction for Platium surface using espresso 5.0.2. My input file is as follows :<br>/<br> &SYSTEM<br>

                       ibrav = 0,<br>                   celldm(1) = 6.654<br>                         nat = 41,<br>                        ntyp = 4,<br>                     ecutwfc = 40 ,<br>                     ecutrho = 400 ,<br>

                 occupations = 'smearing' ,<br>                     degauss = 0.01 ,<br>                    smearing = 'marzari-vanderbilt' ,<br>                       nspin = 2 ,<br>    starting_magnetization(1) = 0.5 ,<br>

    starting_magnetization(2) = 0.5 ,<br>                      london = .TRUE.<br><br>/<br> &ELECTRONS<br>              electron_maxstep = 1000 ,<br>                 conv_thr = 1.0d-8<br>                 mixing_beta = 0.2 ,<br>

               mixing_mode = 'local-TF',<br>               mixing_ndim = 10 ,<br>            diagonalization = 'cg'<br> /<br> &IONS<br>               upscale = 1000 ,<br><br> /<br>ATOMIC_SPECIES<br>   Ni  58.6934    Ni.pbe-nd-rrkjus.UPF<br>

   Pt  195.084    Pt.pbe-nd-rrkjus.UPF<br>   C   12.0107    C.pbe-rrkjus.UPF<br>   H   1.00794    H.pbe-rrkjus.UPF<br>...............<br>................<br><br></div>But in output file while printing in C_6 value it is showing ********<br>

<br></div>That means dispersion correction has not been taken into account.<br><br></div>Can anyone please suggest me what should I do? <br></div><br></div>Thanks a lot<br><br></div>
Regards<br></div>Pallavi Bothra<br></div>Graduate student<br></div>JNCASR, Bangalore<br></div>