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You can choose an avatar and change the default style by going to "Profile" → "Personality" or "Display".#1 2022-12-14 17:45:50
- jiang663
- Member
- Registered: 2022-03-01
- Posts: 5
Molden file: 5d to 6d conversion
Hi, Currently I am using Openmolcas to generate molden file (using AUG-CC-PVDZ basis set). However, while generating, the basis set use [5D], indicating the molden file use spherical D function.
However, I want to use [6D], the cartesian D function, in that case, is it available to convert in OpenMolcas? If not, do you have any suggestion on that for conversion? (convert a molden file from 5D to 6D)
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