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compas / grasp

General Relativistic Atomic Structure Package
https://compas.github.io/grasp/
MIT License
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rmcdhf,ASF serial numbers #114

Open zhaojingyan3 opened 8 months ago

zhaojingyan3 commented 8 months ago

In rmcdhf,what does ASF serial numbers need to be inputted based on?

WenxianLi commented 8 months ago

Hi, The ASF serial numbers are usually the order numbers of the state within the symmetry. As an example we want to do the calculation for the four levels 1s^22s2p ^3P0,1,2 and ^1P1 simultaneously. The J = 0 and J = 2 levels are the lowest of their symmetry. The two J = 1 are the lowest and the second lowest of their symmetry. In the rmcdhf calculation, we would specify this by saying that we want the serial number 1 of symmetry J = 0, the serial numbers 1 and 2 of symmetry J = 1, and the serial number 1 of symmetry J = 2.

JonnoDean commented 8 months ago

Hello, When you run > rcsfblock you will see as an output NCSF with an integer for each block. If you want to include all these configurations in the rmcdhf calculation, then, list all the numbers comma separated 1,...,N for each block where N is the number given from the rcsfblock calculation.

I hope this helps