[Wien] Error on dstart for rhomboheral perovskite CaTiO3

[Bagher Ahmadi]

Dear User



 

Hello to everyone



I am using the rhomboherral perovskite CaTiO3 with the space group (167) with the atomic position:

Alfa=90,Beta=90, Gama=120

Ca(0,0,0.25) Ti(0,0,0) O(x=0.1,0,0.25) in which are based on hexagonal axes.



But it gives error on dstart. I wonder, what is wrong has anybody could help. 



Best Wishes



Bagher Ahmadi



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