[Wien] Electron density at the nucleus (Electron capture nuclear decay rate work)

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[Wien] Electron density at the nucleus (Electron capture nuclear decay rate work)

The construction of atomic spheres with a certain RMT is only a mathematical trick to obtain nicely represented wave functions and potentials in a convenient way. Of course there is a weak dependency of results on RMT, because series expansions converge better or worse with different RMTs, but

[Wien] LMO for LSMO

Why don't you create the struct file with w2web ??? Mn1NPT= 781 R0=0.0001 RMT=2.1000 Z: 25.0 O 1NPT= 781 R0=0.0001 RMT=1.5600 Z: 8.0 La1NPT= 781 R0=0.0005 RMT=3.6200 Z: 57.0 We have put lots of effort into it to select meaningful