[CP2K-user] Using the SOGGA11-X hybrid functional

[Ari Paavo Seitsonen]

Hello,

  I try to use the SOGGA11-X hybrid functional, in order to reproduce some 
earlier results; but I seem to get results that differ from the earlier 
ones. Could some one please check whether the following section is fine?

    &XC
      &XC_FUNCTIONAL
        &LIBXC
          FUNCTIONAL  HYB_GGA_X_SOGGA11_X
        &END LIBXC
        &LIBXC
          FUNCTIONAL  GGA_C_SOGGA11_X
        &END LIBXC
      &END XC_FUNCTIONAL
      &HF
        FRACTION  0.4015
        &SCREENING
          EPS_SCHWARZ          1.0E-8
        &END SCREENING
        &MEMORY
          MAX_MEMORY  4000
        &END MEMORY
      &END HF
    &END XC

  Thank you in advance!

    Greetings from Sunny Paris,

       apsi
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20190808/782fa01f/attachment.htm>