[Pw_forum] Non cubic structures

[Nicola Marzari]

Sorry Srijan - didn't mean to be so rude.

If anything, let's try to keep a high informational content
for the postings - that includes thinking carefully
before asking a question, and before providing an answer.

To amend, here is some useful info (unrelated to this
thread, but to inject some content), on
a question often asked, and for which
references are difficult to come by:

http://en.wikipedia.org/wiki/Birch-Murnaghan_equation_of_state


				nicola


Srijan Kumar Saha wrote:
> 
> 
>  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

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Prof Nicola Marzari   Department of Materials Science and Engineering
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