[Pw_forum] Putting a strain on a BCC

Ben Palmer benpalmer1983 at gmail.com
Wed Nov 28 11:29:18 CET 2012


Hi Paolo,

 From the documentation, it looks as though I could use ibrav=11 
orthorhombic body centered, so I can shirnk/expand each axis independently.

All the best,

Ben Palmer

> On Tue, 2012-11-27 at 17:31 +0000, Ben Palmer wrote:
>
>> Sorry if there is a simple answer to this.
> not sure it is "a simple answer", but the file PW/Doc/INPUT_PW.*
> contains a detailed description of the many ways to pass as
> input the desired crystal structure
>
> P.




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