# vdW-DF1: M. Dion, H. Rydberg, E. Schroeder, D.C. Langreth, and B.I. # Lundqvist, Physical Review Letters 92 (2004) 246401. Note: This should # really be cited together with erratum: PRL 95, 109902 (2005) # # CUTOFF should be optimised for accuracy and efficiency # &XC &XC_FUNCTIONAL &PBE PARAMETRIZATION revPBE SCALE_C 0.0 &END PBE &PW92 &END PW92 &END XC_FUNCTIONAL &vdW_POTENTIAL DISPERSION_FUNCTIONAL NON_LOCAL &NON_LOCAL TYPE DRSLL VERBOSE_OUTPUT KERNEL_FILE_NAME vdW_kernel_table.dat CUTOFF 50 &END NON_LOCAL &END vdW_POTENTIAL &END XC