[CP2K-user] [CP2K:19003] Re: Visualization of negative frequencies

[Victor Volkov]

Hello, dear Rashmi.
I am not a developer of CP2K.

First, may be, you need to search through previous communications on the
discussion group
(using keywords like "vibrations", "normal modes" etc) to study them
sorting what might be relevant or not.

Second, I do not think anybody would be able to give you a clear answer for
your question
since setting a system and configuring various parameters is rather
demanding - you would need to
attach an input that somebody would try to approach.

Third, the term you use "visualize" is not clear.
If you ask how to image atomic displacements about computed normal modes,
this concerns using other software but not CP2K.
For example, it is possible to use molden.
(Sometimes, I program displacement images in Mathematica.)
Again, using "visualize" is not clear.

I hope, these comments would help you to attract attention of the
developers.

Victor







On Wed, Jun 28, 2023 at 10:06 AM 'RASHMI BRAHMA' via cp2k <
cp2k at googlegroups.com> wrote:

> Hello
>
> I am new to cp2k, and I keep getting negative frequencies even after
> optimization of the coordinates of my system. Can anyone help me how can i
> visualize those or remove those negative frequencies from my system? Please
> help me out.
>
> On Tuesday, June 27, 2023 at 7:57:35 PM UTC+5:30 RASHMI BRAHMA wrote:
>
>> Hello everyone
>>
>> Can anyone tell me where can I visualize negative frequencies that is
>> occurring in my system?
>>
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