[Wien] question about VZERO

Shruba Gangopadhyay shruba at gmail.com
Sat Aug 11 01:41:20 CEST 2012


Dear Wien2k users,
                               I have a question regarding definition of
VZERO, what it meant by z=0.5. Is it the half way point of unit cell in the
Z direction, or it is 0.5 to some other distances. We have a slab geometry
and length of the vacuum and length of the unit cell are not same.
                              Thanks for your help.
                               Sincerely,
                               Shruba

-- 
Shruba Gangopadhyay
Postdoc Term Engineer - Computational Material Science
IBM Research Division
Almaden Research Center
650 Harry Road, San Jose, CA 95120
Office: D1-242
Phone: 408-927-1458
Cell: 216-272-9471

'friendship doubles joys and reduces sorrows by half' (Francis Bacon).
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