[CP2K-user] How can l use CUSTOM_ENV?

Evelyn Navarro easa... at gmail.com
Tue Apr 20 14:30:42 UTC 2021


I wanted to use XTB to simulate the response of a piezoelectric material in 
an electric field. So I wanted to try this custom electric field

On Tuesday, April 20, 2021 at 9:19:08 PM UTC+8 Matt W wrote:

> I think (not totally sure) this method is only for real time propagation 
> time dependent dft. Is this what you are doing?
>
> On Tuesday, April 20, 2021 at 4:34:35 AM UTC+1 ea... at gmail.com wrote:
>
>> Hello,All 
>>  I want to define an electric field, but I don't know how to write the 
>> custom file..I found a custom file, but I don't know what each number means.
>> 0
>> 1000000000
>> 2000000000
>> 1000000000
>> 0
>>
>> Best wishes,  
>> Evelyn
>>
>>
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