[Pw_forum] Non cubic structures

[Srijan Kumar Saha]

 Dear Users,


 I just wanted to tell Celldm(1)  is in Bohr unit.
 Usually a, b and c are given in angstrom. So first transform a, b, c all in
Bohr and
 divide by a (which is in Bohr). Otherwise keep everything in angstrom first
and divide
 by a (which is in angstrom now) and then only change 'a' in Bohr to get
celldm(1).
 Definitely, b/a is a ratio between length.
 But we can't devide Angstrom by Bohr.
 It was not clear from Miguel's letter.
 So I just pointed it out for other students.
 Sorry I did not understand  my post might be annoying for others.
 I'll try to not post anything again.

 Regards,
 Srijan
 .


On 10/30/06, Nicola Marzari <marzari at mit.edu> wrote:
>
>
> b/a is a ratio between lengths - so units do not matter.
>
> Can you stop your annoying posts, now ?
>
>                                 nicola
>
>
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