Calculation Summation Elf Plot Generation In Dataexplorer Summary

This is a summary of the process in generating the ELF plots without any sort of explanations.

Generating ELF data:

Create the CTRL file
Check overlap with
If CTRL file did not converge, insert empty spheres -
Check overlap again with
If CTRL still does not converge, change VERBOS = 50, run, increase OMMAX1 and OMMAX2 values in Category SCALE - .18 .20 .22 and .45 .50 .55 in the CTRL file
Check overlap again with
Run (with VERBOS = 50)
If error occurs (file STR does not exist) - increase RMAXS in Category STR (= 6)
Set CHARGE = T in Category OPTIONS, ELF = T in Category CHARGE, and FORMAT = 3 in Category PLOT in the CTRL file
ELF file is created.

Creating the structure file:

Start with a new CTRL file without any empty spheres.
Change VERBOS = 50 in the CTRL file
Change FORMAT = 3 in Category PLOT (to produce dx files), IACTIVE = T in Category IO, and WRIBAS = T in Category OPTIONS
Run again - interactively create the structure
cstruc.dx file is generated.

Producing the ELF figure with structure and ELF isosurface

Copy three files into a new directory: ELF, cstruc.dx, and
Edit to include the correct paths for the import files (cstruc.dx and ELF)
Open in DataExplorer
Change Scalar value to show desired isosurface ELF value
Execute visual program

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