Re: [SIESTA-L] ***SPAM*** Re: Question about Gate (Infinite plane) in SIESTA

[肖威]

Dear Nick Papior,


Take the blue font below for example:
The normal vector consists of two points, pointing from (1.0   1.0   1.0) to 
(1.0   0.5   0.2). What I want to ask is whether the unit of  (1.0   0.5   0.2) 
is Ang.


Here is an example of the use of (Infinite plane) in the SIESTA 4.1.5 manual 
(Page 101):
%block Geometry.Hartree
plane 1. eV  # The lifting potential on the geometry
delta
1.0   1.0   1.0   Ang  # An intersection point, in the plane
1.0   0.5   0.2# The normal vector to the plane
%endblock Geometry.Hartree


Thank you very much!
Wei




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肖威
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xiaowei951...@163.com
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 Replied Message 
| From | Nick Papior |
| Date | 8/10/2023 04:00 |
| To |  |
| Subject | [SIESTA-L] ***SPAM*** Re: Question about Gate (Infinite plane) in 
SIESTA |
Hi,


1. Yes, a plane is defined by a point in the plane, and a normal vector, 
nothing else is needed.
2. A normal vector needs no units, it is a vector describing direction, not 
distance. Hence no unit is required.
3. Please use 4.1.5 (check the gitlab hosting site for the latest release), do 
not use 4.1-b4.



Den tirs. 8. aug. 2023 kl. 22.00 skrev 肖威 :

Dear SIESTA developers and users,


Here is an example of the use of (Infinite plane) in the SIESTA 4.1-b4 manual 
(Page 101):


%block Geometry.Hartree
plane 1. eV  # The lifting potential on the geometry
delta
1.0   1.0   1.0   Ang  # An intersection point, in the plane
1.0   0.5   0.2# The normal vector to the plane
%endblock Geometry.Hartree


I have two questions about the above example:
1, Does the normal vector start at (1.0   1.0   1.0) and end at (1.0   0.5   
0.2) ? 
2, The unit of coordinate (1.0   0.5   0.2) is not marked, is it Ang ?



I'm really looking forward to some help.

Thank you very much!

Wei











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肖威
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xiaowei951...@163.com
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--
SIESTA is supported by the Spanish Research Agency (AEI) and by the European 
H2020 MaX Centre of Excellence 
(https://urldefense.com/v3/__http://www.max-centre.eu/__;!!D9dNQwwGXtA!X3APsp0SY6XOonK2EDMii3S20GGPWca2WF43qXZGk2cw86KZN-bZgk05od2AIY7P_7UhmSNmF1716nmf_LfAtA$
 )



--

Kind regards Nick
-- 
SIESTA is supported by the Spanish Research Agency (AEI) and by the European 
H2020 MaX Centre of Excellence (http://www.max-centre.eu/)

[SIESTA-L] ***SPAM*** Re: Question about Gate (Infinite plane) in SIESTA

[Nick Papior]

Hi,

1. Yes, a plane is defined by a point in the plane, and a normal vector,
nothing else is needed.
2. A normal vector needs no units, it is a vector describing direction, not
distance. Hence no unit is required.
3. Please use 4.1.5 (check the gitlab hosting site for the latest release),
do not use 4.1-b4.

Den tirs. 8. aug. 2023 kl. 22.00 skrev 肖威 :

> Dear SIESTA developers and users,
>
> Here is an example of the use of (Infinite plane) in the SIESTA 4.1-b4
> manual (Page 101):
>
> %block Geometry.Hartree
> plane 1. eV  # The lifting potential on the geometry
> delta
> 1.0   1.0   1.0   Ang  # An intersection point, in the plane
> 1.0   0.5   0.2# The normal vector to the plane
> %endblock Geometry.Hartree
>
> I have two questions about the above example:
> 1, Does the normal vector start at (1.0   1.0   1.0) and end at (1.0
> 0.5   0.2) ?
> 2, The unit of coordinate (1.0   0.5   0.2) is not marked, is it Ang ?
>
> I'm really looking forward to some help.
>
> Thank you very much!
>
> Wei
>
>
>
>
>
>
>
>
>
>
>
>
>
>
>
>
>
>
> 肖威
> xiaowei951...@163.com
>
> 
>
> --
> SIESTA is supported by the Spanish Research Agency (AEI) and by the
> European H2020 MaX Centre of Excellence 
> (https://urldefense.com/v3/__http://www.max-centre.eu/__;!!D9dNQwwGXtA!TTj_HNxltCl3ezM3mCK0ZlEqBsrhmBQXmMAF0HrMX1kzpH5HJLBlOyUA0tVY1XnMZPJ9NEagiJqxsYn9XA$
>  )
>


-- 
Kind regards Nick

-- 
SIESTA is supported by the Spanish Research Agency (AEI) and by the European 
H2020 MaX Centre of Excellence (http://www.max-centre.eu/)