Jon Grumer

Hi Mohammad, Why are you including the 3p5 np CSF's in your list? Have a look at e.g. the book "Computational Atomic Structure: An MCHF Approach" for details on how...

Ah I didn't see you had `3s1` in those extra configurations - and that these are core-excited states with holes in 1s. I suggest you try to get convergence in...

About the initial estimates: maybe you can run on `1s1 2s2 2p6 3s2 3p6` without the outermost `np` electron first to get initial estimates for the core - no idea,...

@cffischer Fantastic Charlotte! @mzmansour EAL means "extended average level" - just ask if you need input on what it means. You'll find the code Charlotte refers to on CPC. Well...

@cffischer Github does some formatting, i.e. enclosing a word in a pair of _ results in _italic_, enclosing in ** gives **bold**, a word within `` gives `monospace code` etx...maybe...

I like how this thread now has turned into a markdown formating crash course 👌😆

Great! It would be appreciated if you could summarize in detail how you used the method suggested by Charlotte. I.e what input commands you used in the codes etc.

You have to provide some more info - what command did you run `DBSR_HF` with? As Charlotte said in her post, you need to double-check the command she suggested. But...

Hi Yenoch, A google search on "mpirun signal 9" leads me to guess that you are simply running out of memory (on node qy-PC then if you use a multi-node...

No, don't enlarge the swap, that won't do anything, calculations will crash anyways. Swapping should generally be avoided at all times. The amount of required RAM is not straightforward and...