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Basis_Set_Conversion #271

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sibananda6 opened this issue Apr 18, 2023 · 4 comments
Open

Basis_Set_Conversion #271

sibananda6 opened this issue Apr 18, 2023 · 4 comments

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@sibananda6
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I was trying to convert the cc-pVTZ-DK3 basis set from turbomole format to CRYSTAL format. It is giving the basis set in a format that is not read by the CRYSTAL code. I have attached both files for the reference.

Any suggestions is appreciated.

Thank you,
Sibananda

CRYSTAL.txt
Turbomole.txt

@susilehtola
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You are missing key details in your problem report: what version of CRYSTAL are you trying to use?

@susilehtola
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You should probably contact CRYSTAL support to see what the issue is

@sibananda6
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You are missing key details in your problem report: what version of CRYSTAL are you trying to use?

I am using CRYSTAL17.

@sibananda6
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You should probably contact CRYSTAL support to see what the issue is

I will contact them. Thank you.

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