[CP2K-user] [CP2K:19947] Re: Error in the cubecrucncher while doing 1D profile

[Lakshmi Anil]

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.akira 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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