Hi,<br> Looking at the structure file of TiO2 example in the usersguide:<br> Oxygen NPT= 781 R0=.000017913 RMT=1.60000000 Z: 8.0<br> shows that it is not unusual to use umbers out of the mentioned interval of (0.0005, 0.005) for the R0.<br> For more information you would make a surface on the archive to find when the warning can be ignored, e.g. the following one:<br> http://zeus.theochem.tuwien.ac.at/pipermail/wien/2003-November/001247.html<br> <br><br> <br><b><i>John Appleton <banger_deep@yahoo.com></i></b> wrote:<blockquote class="replbq" style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"> Dear WIEN users,<br> <br> during the initialzation at x lstart, I got warning in case.outputst so I changed R0=0.001 in case .struct to R0=0.00001 and the warnings went away. However, it states in the manual that R0 should be between 0.005 and 0.0005. I want to know from experienced users if using R0=0.00001 will affect my
calculations in any way?<br> <br> Thank you.<br> <br> J. Appleton <br> _______________________________________________<br>Wien mailing list<br>Wien@zeus.theochem.tuwien.ac.at<br>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<br></blockquote><br><BR><BR>Sincerely yours,<br>S. Jalali.<br>/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/<br>Saeid Jalali Asadabadi,<br>Department of Physics, Faculty of Science,<br>University of Isfahan (UI), Hezar Gerib Avenue,<br>81744 Isfahan, Iran.<br>Phones:<br>Dep. of Phys. :+98-0311-793 2435<br>Office :+98-0311-793 2430<br>Fax No. :+98-0311-793 2409<br>E-mail :s_jalali_a@yahoo.com<br>www :http://www.ui.ac.ir<br>/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/<p> 
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