Dear WIEN 2K users and Dr Blaha,<br><br>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.<br><br> 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.<br>
<br>I am really sorry for bothering but I just want to confirm this before going ahead.<br><br>Thank you very much in advance for your attention and time.<br><br>V. Mishra<br clear="all"><br><br>