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Kerker factor
Date: 2022/04/02 20:14
Name: Mehdi Vejdanihemmat   <m.vejdanih@basu.ac.ir>

Dear users,

I get an error with the coordinates and unit vectors as follow:

Atoms.Number 8
Atoms.SpeciesAndCoordinates.Unit Ang # Ang|AU
<Atoms.SpeciesAndCoordinates
1 V 1.625000 0.938194 2.632516 6.5 6.5 off
2 Zn 4.875000 0.938194 2.632516 6.0 6.0 off
3 Zn 0.000000 3.752777 2.632516 6.0 6.0 off
4 Zn 3.250000 3.752777 2.632516 6.0 6.0 off
5 O -0.000000 1.876388 1.995474 6.0 6.0 off
6 O 3.250000 1.876388 1.995474 6.0 6.0 off
7 O -1.625000 4.690971 1.995474 6.0 6.0 off
8 O 1.625000 4.690971 1.995474 6.0 6.0 off
Atoms.SpeciesAndCoordinates>

Atoms.UnitVectors.Unit Ang
<Atoms.UnitVectors
10.637584024 −6.141612001 0.0000000000
0.0000000000 12.283223999 0.0000000000
0.0000000000 0.0000000000 20.1960000000
Atoms.UnitVectors>

and the error:

Format error for Atoms.Unitvectors
Format error for Atoms.Unitvectors
Automatic determination of Kerker_factor: nan
errors in the inputfile
errors in the inputfile

I have had so many attempts. But everytime I have had the error mentioned. I would be grateful beforehand.
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Re: Kerker factor ( No.1 )
Date: 2022/04/03 01:44
Name: Naoya Yamaguchi

Hi,

>10.637584024 −6.141612001 0.0000000000
The minus sign needs to be expressed by the hyphen-minus (-).

Regards,
Naoya Yamaguchi
メンテ
Re: Kerker factor ( No.2 )
Date: 2022/04/03 00:54
Name: Mehdi Vejdanihemmat  <m.vejdanih@gmail.com>

Oh my Goooooooooood
Dear Naoya,

Thank you very very very very very much.

Best wishes,
Mehdi Vejdanihemmat
メンテ

Page: [1]

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