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confusion in the Addion function to add multiple ions in the CRM #692

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indhusureshiitt opened this issue Jun 26, 2024 · 2 comments
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@indhusureshiitt
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I am trying to do a CRM using multiple charged states of Lithium (Li atom, Li + and Li ++).
So i want to know which is the correct way to do it.

  1. calculate the structure calculations together in a single input file and generate all the cross sections in a single file for all the three charged states. and then in the CRM, call the AddIon function multiple times.
    image

then i am getting an error message like this

image
I don't understand what this error means?

and the other way i tried is

  1. separately running the structure calculations of each atoms then generate separate cross sections files for each charged states then run the CRM model like this

image
here i am not getting any error messages.
I want to know which is the right way

@indhusureshiitt indhusureshiitt changed the title confucion in the Addion function to add multiple ions in the CRM confusion in the Addion function to add multiple ions in the CRM Jun 26, 2024
@mfgu
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mfgu commented Jun 27, 2024

using data files per ion is the correct way.

@indhusureshiitt
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I am running this command to include the Li I and Li II ions, and I gave the population densities in this way.
image

My ground state density of Li I varies like this for the given te and ne grid.
image

and the ground state density of Li II varies like this
image
But initially, I gave the ground state density of Li II as zero. How can I interpret this density now? Is it relative to the ground state density of Li I?
so in that case how can i find the actual density of ground state or any other states of Li II?

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