[Pw_forum] Elastic Constant.

[Stefano Baroni]

On Jun 17, 2009, at 10:43 AM, Paolo Giannozzi wrote:

> Huiqun Zhou wrote:
>
>> The straightforward approach is tedious for orthogonal, monoclinic,  
>> triclinic
>> systems. Should the lost implementation gain in these respects?
>
> the lost implementation was written only for the cubic case and only  
> for
> the bulk modulus, if I remember correctly.

of course you do do, Paolo (the implementation was yours!)

> Extending it to low-symmetry
> cases would also be tedious!

... and possibly worthwhile: would you volunteer, Huiqun Zhou? Have  
you read the PRL paper where all this is explained?

Stefano


---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
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