[DFTB-Plus-User] problem with spin constants and magnetic properties calculations
malahmer at umbb.dz
malahmer at umbb.dz
Wed May 16 07:40:04 CEST 2012
Dear all dftb user's
i have tried to run calculations on magnetic peoperties of ZnO doped C supercell. i have tried to use initial spins command but this don't work. the code always print a message error and stop.
the code ask to define the spin parameters and consatants for the Zn O and C atoms
however i don't know where i can find these parameters so i would ask if any one have an idea on this problem
best regards
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