derivation method for second_derivative of XC functionals

Hanning Chen chenh... at
Sat Apr 18 18:22:01 UTC 2009

Dear CP2K users,

  I ran a TDDFPT calculation for excitation energies using PBE as my XC
functionals. I encountered an error "Please provide a derivation method
12:50:04 ERRORL2 in pw_poisson_methods:pw_poisson_solve err=-300 12:50:06
ERRORL2 in xc:xc_calc_2nd_deriv err=-300  condition FAILED". I guess that
was caused by a missing parameter for the second derivative of the XC terms.
Please help me to resolve this issue.


Hanning Chen

Department of Chemistry
Northwestern University
Evanston, IL 60208
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