Dear User (please sign always with name and affiliation your posts)
1) The usefulness of our replies is proportional to the details in
your post, which are scarce.
2) We can help you if something goes wrong in the calculation. It is
much more difficult that we know the physics of your calculations,
unless it is a very simple physics.
HTH
Giuseppe
Quoting Satyasiban Dash ph19d005 <[email protected]>:
Dear Users
I have been trying to calculate the properties of a heterojunction
consisting of a cubic and wurtzite structure along Z-direction.Instead
applying proper vacuum of around 20 angstrom I don't get any band gap.
After relaxation the structure is losing its symmetry. Please suggest to me
is there any better way to couple these two space groups?
Thank You
GIUSEPPE MATTIOLI
CNR - ISTITUTO DI STRUTTURA DELLA MATERIA
Via Salaria Km 29,300 - C.P. 10
I-00015 - Monterotondo Scalo (RM)
Mob (*preferred*) +39 373 7305625
Tel + 39 06 90672342 - Fax +39 06 90672316
E-mail: <[email protected]>
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