[CP2K-user] Vacuum level from ENERGY calculation.

[sri harsha]

Dear  Marcella,

Do I find it by plotting the ESP profile or is it printed in the Hartree 
cube file?

Best regards

On Saturday, August 1, 2020 at 5:09:51 PM UTC Marcella Iannuzzi wrote:

> Dear Harsha,
>
> You get the vacuum level from the electrostatic potential in the vacuum 
> region. 
> You can get it from the electrostatic potential cube file. 
> Regards 
> Marcella
>
>
> On Thursday, July 30, 2020 at 4:48:18 PM UTC+2 Harsha wrote:
>
>> Hi,
>>
>> I am running an ENERGY calculation, to calculate work function. I can see 
>> Fermi energy from the output but it doesn't print vacuum level.
>>
>> I am supposed to add any additional tags to print vacuum level? 
>>
>> Any suggestions would be really helpful.
>>
>> Thank you,
>>
>> Harsha
>>
>
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