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

```The message from y...@rice.edu was correct.

Whether the arrow starts at the intersection point or not, will not change
the vector.
The intersection point has a unit.
But the vector direction is determined as yh46 says. Starting at 0, 0, 0
with the direction of the last vector coordinates as given. Unitless, by
definition```
```
Den fre. 1. sep. 2023 kl. 22.00 skrev 肖威 <xiaowei951...@163.com>:

> Hello, Yuefei Huang
>
> From Papior's reply, I think the normal vector starts at (1.0 1.0 1.0) and
> ends at (1.0 0.5 0.2). Please refer to the correspondence between Nick
> Papior and me.
>
> Now my understanding for (Gate, Infinite plane) is as follows:
>
>    - When determining the direction of the normal vector, the coordinate
>    system and point (1.0 1.0 1.0) and point (1.0 0.5 0.2) have no units.
>    - When determining the intersection points in the plane, the unit of
>    point (1.0 1.0 1.0)  is Ang.
>
>
> I sincerely invite Nick Papior to comment on the above. Many thanks.
>
> Example of (Infinite plane):
> %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
>
> 肖威
> xiaowei951...@163.com
>
> <https://urldefense.com/v3/__https://dashi.163.com/projects/signature-manager/detail/index.html?ftlId=1&name=**E&uid=xiaowei951020*40163.com&iconUrl=https*3A*2F*2Fmail-online.nosdn.127.net*2Fqiyelogo*2FdefaultAvatar.png&items=*5B*22xiaowei951020*40163.com*22*5D__;6IKW5aiBJSUlJSUlJSUlJSU!!D9dNQwwGXtA!QJE7m5jLqhlIUxQ3cUJUVfPUq4gmfp-PANjZdaBrw6Regb7NzfLExWoIZBrwGXI0WQy0XJO4_X-iqiCdQRjP7Q\$>
> ---- Replied Message ----
> From yh46<y...@rice.edu> <y...@rice.edu>
> Date 8/29/2023 04:00
> To <siesta-l@uam.es> <siesta-l@uam.es>
> Subject Re: [SIESTA-L] ***SPAM*** Re: ***SPAM*** Re: Question about Gate
> (Infinite plane) in SIESTA
> Wei,
> The normal vector in this case is just (1.0, 0.5, 0.2). There is
> nothing to do with the line "1.0   1.0   1.0   Ang".
>
> If you still don't understand, the starting point of your vector is
> (0, 0, 0), and the end point of the vector is (1.0, 0.5, 0.2). So no
> unit is needed.
>
>
> Quoting 肖威 <xiaowei951...@163.com>:
>
> Dear Nick Papior,
>
>
> Please give me some more guidance on the direction of the plane's
> normal vector. (Gate, Infinite plane)
>
>
>
> Many thanks.
> Wei
> | |
> 肖威
> |
> |
> xiaowei951...@163.com
> |
> ---- Replied Message ----
> | From | Nick Papior<nickpap...@gmail.com> |
> | Date | 8/27/2023 04:00 |
> | To | siesta-l<siesta-l@uam.es> |
> | Subject | Re: [SIESTA-L] ***SPAM*** Re: ***SPAM*** Re: Question
> about Gate (Infinite plane) in SIESTA |
> Your understanding is wrong, it is not inserted into the box before
> determining the direction.
>
>
> It is a direction first.
>
>
> On Fri, 25 Aug 2023, 22:00 肖威, <xiaowei951...@163.com> wrote:
>
> Dear Nick Papior,
>
>
> Here is an example of the use of (Infinite plane) in the SIESTA
> 4.1.5 manual (Page 105) :
> %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
>
>
> As shown in the example above, [(1.0   1.0   1.0 ) Ang] is the
> starting point of the normal vector and its unit is Ang.Assuming 1.0
> Bohr = 0.5 Angstrom (Ang), then the end point of the normal vector
> (1.0  0.5  0.2) in Ang and Bohr gives different point positions M
> and N, respectively, and ultimately leads to different normal vector
> directions n1 and n2 (see diagram below,same as the attachment). So
> I can't determine the spatial position of the (Infinite plane).
>
> Please kindly point out if my understanding is wrong.
>
>
>
>
>
>
> Thank you very much!
>
>
> Wei
>
>
>
>
>
>
> | |
> 肖威
> |
> |
> xiaowei951...@163.com
> |
> ---- Replied Message ----
> | From | Nick Papior<nickpap...@gmail.com> |
> | Date | 8/25/2023 04:00 |
> | To | siesta-l<siesta-l@uam.es> |
> | Subject | [SIESTA-L] ***SPAM*** Re: ***SPAM*** Re: Question about
> Gate (Infinite plane) in SIESTA |
> Hi,
> I understand that you want to know if the normal vector is in ang or Bohr.
>
>
> But, a normal vector is, by definition, unit less. It is a
> direction, nothing more.
> Once siesta has read in the vector, it will normalise it to unit length.
>
>
> On Wed, 23 Aug 2023, 22:00 肖威, <xiaowei951...@163.com> wrote:
>
> 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
>
>
>
>
> | |
> 肖威
> |
> |
> xiaowei951...@163.com
> |
> ---- Replied Message ----
> | From | Nick Papior<nickpap...@gmail.com> |
> | Date | 8/10/2023 04:00 |
> | To | <siesta-l@uam.es> |
> | 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 <xiaowei951...@163.com>:
>
> 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
> |
>
> --
> 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!URpSF7zEPUo2pgnDAu-R8G2ylzEB4WJvVMj6ieteqAMMZPkxWDoJvxO4K0mmRZZT9CKicYpb-gKpQV-vtdNxDg\$
>
> )
>
>
>
> --
>
> Kind regards Nick
>
> --
> 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!URpSF7zEPUo2pgnDAu-R8G2ylzEB4WJvVMj6ieteqAMMZPkxWDoJvxO4K0mmRZZT9CKicYpb-gKpQV-vtdNxDg\$
>
> )
>
>
> --
> 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!URpSF7zEPUo2pgnDAu-R8G2ylzEB4WJvVMj6ieteqAMMZPkxWDoJvxO4K0mmRZZT9CKicYpb-gKpQV-vtdNxDg\$
>
> )
>
>
>
> --
> Yuefei Huang
> Department of Material Science and NanoEngineering
> Rice University
> email: yuefei.hu...@rice.edu
> phone: +1-832-499-9169
>
>
> --
> 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!S9K-XdkviQ_Ztqm7CvA4gGetPzYKrPExKM9B40wAOoZYJAwxKr4sf3JX5mDXXskIvs_owQ__wfcutTuwCA\$
>  )
>

--
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/)
```