[CP2K:8029] How to open results of Vibrational analysis with molden

Shun syun39y... at gmail.com
Tue Aug 2 10:52:13 UTC 2016


Hi S Ling

Thanks for your kind advice. Now I am looking for the "Norm. Mode" on the 
molden control window, but I cannot find it out.
Please could you tell me why there is not the button on my window like 
attached picture?
I use molden ver. 5.6.

Regards

Shun

2016年8月2日火曜日 11時47分45秒 UTC+2 S Ling:
>
> Just type "molden C6H6-VIBRATIONAL-1.mol" from the terminal if you are 
> using Linux/Mac. Once you open the file, to visualise individual normal 
> mode, please click on the tab next to "Norm. Mode" in the main menu of 
> Molden.
>
> SL
>
> On 2 August 2016 at 09:16, Shun <syun3... at gmail.com> wrote:
>
>>
>> Hi, I am a beginner of CP2K and trying to calculate IR spectra with the 
>> function of Vibration analysis according to the web-page: 
>> https://www.cp2k.org/exercises:2016_ethz_mmm:infra_red
>> after calculation, I tried to open the C6H6-VIBRATIONAL-1.mol with molden 
>> and I cannot.
>> Please let me know how to open the attached file with molden or another 
>> software.
>>
>> Shun 
>>
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>
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