[Wien] Some confirmation regarding SO calculation

[Vinayak Mishra]

Dear WIEN 2K users and Dr Blaha,

I am a regular WIEN2K user. Off late I have started doing spin orbit (SO)
calculation of an element. And I want some small confirmation here.

 For this I have done the normal SR calculation. After this, in order to
include SO effect I invoke the command initso_lapw and generate the
case.inso file by agreeing for default settings for ecverything except when
it asks to "Add  RLO for NONE, ALL,  CHOOSE elements ? (N/a/c)" and for
this I select "a". This is how I created inso file. And at the same time I
observed that in the case.in1 file emax has changed from default 2.5 to 5.
This is the default setting for initso_lapw. Now in order to run SO
calculation I invoke the command run_lapw -so -ec 0.00001. And this is how
I did the calculation at one particular value of emax. Now I am not very
clear that if I have to include large spin orbit effect (more than 5 Ry,
for which maximum recommended value is 10 Ry), should I change the emax in
case.in1 file only or in case.inso file also as I guess emax in case.inso
file is for printing purpose only.If not so then what is its purpose.

I am really sorry for bothering but  I just want to confirm this before
going ahead.

Thank you very much in advance for your attention and time.

V. Mishra
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