[Pw_forum] question related to ATOMIC POSITIONS

[ski2 at mail.uh.edu]

Dear All, 

I am a new user. 
I have a quick question in terms of structure input preparation. 
There is no choice to specify a space group of a system.
So, I assume that, in ATOMIC_POSITIONS, all atomic positions in a primitive cell must be included in the script file, although there are symmetrically equivalent atoms.
Am I right?

Best Wishes,
Sang-Hwan Kim 





Department of Chemistry
University of Houston
136 Fleming Building
Houston, TX 77204-5003
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