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, <[email protected]> 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 > [email protected] > > <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!X3APsp0SY6XOonK2EDMii3S20GGPWca2WF43qXZGk2cw86KZN-bZgk05od2AIY7P_7UhmSNmF1716nm4Oyl9oA$> > ---- Replied Message ---- > From Nick Papior<[email protected]> <[email protected]> > Date 8/10/2023 04:00 > To <[email protected]> <[email protected]> > Subject [SIESTA-L] ***SPAM*** Re: Question about Gate (Infinite plane) in > SIESTA > Hi, > > 1. Yes, a plane is defined by a point in the plane, and a normal vector, > nothing else is needed. > 2. A normal vector needs no units, it is a vector describing direction, > not distance. Hence no unit is required. > 3. Please use 4.1.5 (check the gitlab hosting site for the latest > release), do not use 4.1-b4. > > Den tirs. 8. aug. 2023 kl. 22.00 skrev 肖威 <[email protected]>: > >> Dear SIESTA developers and users, >> >> Here is an example of the use of (Infinite plane) in the SIESTA 4.1-b4 >> manual (Page 101): >> >> %block Geometry.Hartree >> plane 1. eV # The lifting potential on the geometry >> delta >> 1.0 1.0 1.0 Ang # An intersection point, in the plane >> 1.0 0.5 0.2 # The normal vector to the plane >> %endblock Geometry.Hartree >> >> I have two questions about the above example: >> 1, Does the normal vector start at (1.0 1.0 1.0) and end at (1.0 >> 0.5 0.2) ? >> 2, The unit of coordinate (1.0 0.5 0.2) is not marked, is it Ang ? >> >> I'm really looking forward to some help. >> >> Thank you very much! >> >> Wei >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> 肖威 >> [email protected] >> >> <https://urldefense.com/v3/__https://dashi.163.com/projects/signature-manager/detail/index.html?ftlId=1&name=**E&uid=xiaowei951020*40163.com&iconUrl=https*3A*2F*2Fmail-online.nosdn.127.net*2Fqiyelogo*2FdefaultAvatar.png&items=*5B*22xiaowei951020*40163.com*22*5D__;6IKW5aiBJSUlJSUlJSUlJSU!!D9dNQwwGXtA!XtcB5cnvnut0f-GSXNjOU06txE4U6qlwKdryLpHu-Py2F6cpG1AAmVSVTkfHoKS6_7mnI1q6fDNdnq4iZD-8zw$> >> >> -- >> 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!UOa65RD3GZxBZZUcwXOkxuudk5V1A4b_er85agHrZToJczDLPBt_sJ1t0bPR2llKSRPsH70dCVXPAnm45g$ >> >> <https://urldefense.com/v3/__http://www.max-centre.eu/__;!!D9dNQwwGXtA!TTj_HNxltCl3ezM3mCK0ZlEqBsrhmBQXmMAF0HrMX1kzpH5HJLBlOyUA0tVY1XnMZPJ9NEagiJqxsYn9XA$> >> ) >> > > > -- > Kind regards Nick > > -- > SIESTA is supported by the Spanish Research Agency (AEI) and by the > European H2020 MaX Centre of Excellence > (https://urldefense.com/v3/__http://www.max-centre.eu/__;!!D9dNQwwGXtA!UOa65RD3GZxBZZUcwXOkxuudk5V1A4b_er85agHrZToJczDLPBt_sJ1t0bPR2llKSRPsH70dCVXPAnm45g$ > ) >
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
