[CP2K-user] [CP2K:19304] Re: Error in density of phonon state

[Moon Yue]

Dear Mr.  Watkins

Thank you for your comments.
I just obtained the phonon DOS using finite displacement method. The 
reference manual is that written in the website of CP2K:
https://www.cp2k.org/exercises:2017_uzh_cmest:phonon_calculation
There are 200 carbon atoms in my amorphous system. I don't know why the 
strange oscillations appear on the right side of DOS. Could you please give 
me some suggestions ?

Yue Qiang

在2023年10月4日星期三 UTC+9 14:52:28<Matt Watkins> 写道：

> Hi,
> we'd need to know what you did to calculate the DoS to provide sensible 
> comments.
> Matt
>
> On Friday, 29 September 2023 at 03:02:05 UTC+1 Moon Yue wrote:
>
>> hello, cp2k forum. Recently, I calculated density of phonon states for a 
>> amorphous carbon system. But there were some strange oscillations in the 
>> high frequency. 
>> Is there someone can help me to solve this problem ?
>>
>>
>> [image: 1.png]
>>
>> Yue Qiang
>>
>

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