<div dir="ltr"><div><div>Dear Prof. Peter Blaha, and wien2k users,<br></div> Thank you Prof. Stefaan sir, it is so helpful for me.<br></div> Thanking you<br></div><div class="gmail_extra"><br><br><div class="gmail_quote">
On Wed, Mar 19, 2014 at 4:25 PM, Stefaan Cottenier <span dir="ltr"><<a href="mailto:Stefaan.Cottenier@ugent.be" target="_blank">Stefaan.Cottenier@ugent.be</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div class=""><br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
I am doing So calculations for spin polarized system, While initializing<br>
so calculations (initso_lapw) it will ask for the kpoints, i gave 500<br>
kpoints and proceeded for the calculations. The calculations are<br>
completed without any error, if i want to increase the k points to 1000<br>
do i have to use x kgen and continue from the existing calculations (by<br>
-NI) or i have to initialize once again.<br>
</blockquote>
<br></div>
first save_lapw, then continue. Do not re-initialize.<div class=""><br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
I tried with x kgen but i<br>
observed by using x kgen and by the initso_lapw it is giving two<br>
different IBZ values in case.klist file. Is both the procedures are same?<br>
</blockquote>
<br></div>
For generating a new k-mesh that is to be used with spin-orbit coupling, you need<br>
<br>
x kgen -so<div class=""><br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
And also where i can get the orbital magnetic moment?<br>
</blockquote>
<br></div>
Postprocessing with lapwdm (see the usersguide).<br>
<br>
Stefaan<br>
<br>
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</blockquote></div><br></div>