[Octopus-users] user_defined species

[Miguel Marques]

   Hi Emily,

   I tried your input file with the svn version of octopus (that will
pretty soon be release as 3.0). You had a small error in the file: you
did not define the variable "a" that you use in the Species. If you just
add:

a = 1 # or whatever value you want
%Species
   'Vext' |0.0 | user_defined | 0 | "a*(x+y+z)"
   'N' | Nitrogen_mass | spec_ps_hgh | Nitrogen_z | 1 | 0
%

it should work (at least it does for me).

   cheers,
   m.