[CP2K-user] [CP2K:19957] Re: Error in the cubecrucncher while doing 1D profile

[Lakshmi Anil]

Dear Marcella,
Thank you so much. I will try that way.

Kind Regards,
Lakshmi.

On Thu, Feb 22, 2024 at 2:18 AM Marcella Iannuzzi <marci.akira at gmail.com>
wrote:

> Actually I used a wrong description, it is not an integration interval, it
> is used to average the values and  get a smoother profile the
> Typical values are the interlayer distances
> Regards
> Marcella
>
> On Wednesday, February 21, 2024 at 8:35:49 PM UTC+1 lakshmi... at gmail.com
> wrote:
>
>> Dear Marcella,
>> Thanks for your reply. As I am not familiar with this command. If I am
>> not wrong,for the z direction it should be 3 , but I don't understand what
>> I have to give for the integration interval. Could you please explain this
>> to me?
>>
>> Kind Regards,
>> Lakshmi.
>>
>>
>> On Wed, Feb 21, 2024 at 1:23 PM Marcella Iannuzzi <marci... at gmail.com>
>> wrote:
>>
>>> Dear Lakshmi
>>>
>>> -1d_profile expects  two arguments an integer (1,2,or 3) to define the
>>> direction, and  a real for the integration interval
>>>
>>> Regards
>>> Marcella
>>>
>>> On Wednesday, February 21, 2024 at 6:16:35 PM UTC+1 lakshmi... at gmail.com
>>> wrote:
>>>
>>>> Dear All,
>>>> I was trying to do the electrostatic potential calculation. As an
>>>> initial step, I tried to do for a Ru system with an applied electric field
>>>> of 10V and generated the V_Hartree cube file but when I tried to do the
>>>> plot by cubecruncher, I got this error message below. Can anyone help me
>>>> sort out this?
>>>>
>>>> Thanks,
>>>> Lakshmi.
>>>>
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