[Octopus-users] user_defined species
Miguel.Marques at tddft.org
Fri Dec 14 13:20:53 WET 2007
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
a = 1 # or whatever value you want
'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).
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