[Pw_forum] Raman Active Mode

[Srijan Kumar Saha]

  Dear all,

  No,  infact I want to get some more informations about pwscf package.

  Prof. Paolo wrote :::

the last version of the phonon code prints (very tentative)
symmetry labels, from which one might be able to distinguish
Raman-active modes

So my confusions were --->

 1.  the last version of the phonon code prints symmetry labels  ---- When
????
      For that should I use some special flag like IRAMAN = .true. or like
that?????

 2. (very tentative) ???
     What does  it mean?????  Why very tentative????

 3.  from which one might be able to distinguish
      Raman-active modes ???

     Why might be????? Won't the output file give enough informations
     to identify Raman-active modes????

     We know that the derivative of the *electronic* *polarizability  *tensor
with respect to a normal coordinate
     gives us the information about Raman -active modes.

     So does pwscf calculate the derivative of the *electronic*
*polarizability
*tensor???

       I know my questions are  very trivial to veterans.
       I'm just  a *newbie in PWSCF. *
     So to clear my above confusions I just asked for some useful references
or examples, not
     the  answers of my trivial confusions.

     With best regards,
     Srijan


  On 12/18/06, Jin Zhang <jin.zhang.pku at gmail.com> wrote:
>
> Dear Saha,
>
> I think you probably want to get some standard textbooks about quantum
> chemistry which talk about Raman modes in a lot details.
>
> Regards,
> Jin Zhang
>
>
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