[Pw_forum] Pressure along z-plane

Perpetua Wanjiru perpetua.wanjiru3 at gmail.com
Mon Feb 20 13:32:05 CET 2017


Good day all,
I am trying to do pressure calculations on a 100 surface after successfully
running the pressure calculations on a bulk cubic system with only celldm
(a). My current problem is how i apply pressure along z direction on 100
surface whereby i have three different celldm i.e a, b and c. I find some
difficulties on how i can apply pressure within a certain range on celldm
(c/a) only.
 Thank you,
Perpetua Muchiri
Computational Material Science Group,
University of Eldoret,
Eldoret, Kenya
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