[Wien] vacuum space in slab calculation
Griselda Garcia
griselda at bethe.fis.puc.cl
Mon Jul 21 22:37:25 CEST 2003
Dear Drs. Blaha and Andersen,
Thank you!! for yours indications.
As Dr. Blaha suggested, I calculated the work function in the three
cases and the values is the same for them, so I consider that a vacuum
of 10 Ang is enough, Am I right?.
With respect to the number of layers, I did not meet problems with the
convergence and it was easy (11 cycles). But I agree with you respect to
the basis.
Thanks!! again.
Griselda
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