[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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