Basis_Set_Conversion

Question

Basis_Set_Conversion

Opened this issue a year ago · 4 comments

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

Answer 1 · 2023-04-18T11:06:13.000Z

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

Answer 2 · 2023-04-18T11:06:31.000Z

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

Answer 3 · 2023-04-18T11:08:38.000Z

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

I am using CRYSTAL17.

Answer 4 · 2023-04-18T11:09:17.000Z

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

I will contact them. Thank you.