<div dir="ltr">Thank you very much for the reply. I will go through your suggestions .</div><div class="gmail_extra"><br><div class="gmail_quote">On Tue, Mar 29, 2016 at 12:07 PM, Peter Blaha <span dir="ltr"><<a href="mailto:pblaha@theochem.tuwien.ac.at" target="_blank">pblaha@theochem.tuwien.ac.at</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Of course you can try this. It depends if your fsm-solution is a global or at least a local minimum or not. (Plot the energetics of FSM calculations with different M. If you get two minima, you probably can do it.<span class=""><br>
<br>
On 03/29/2016 08:25 AM, Paresh Chandra Rout wrote:<br>
</span><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><span class="">
My aim is to get a particular magnetic moment and its corresponding<br>
energy. Which can only be done by fixing the magnetic moment . After<br>
getting the desired magnetic moment and corresponding energy, my<br>
question is can I restart using SOC from the previous fixed moment<br>
calculation so that the magnetic moment will not change (or will get MM<br>
around the desired value) and will get the additional SOC effect also ?<br>
<br>
On Tue, Mar 29, 2016 at 11:02 AM, Peter Blaha<br></span><span class="">
<<a href="mailto:pblaha@theochem.tuwien.ac.at" target="_blank">pblaha@theochem.tuwien.ac.at</a> <mailto:<a href="mailto:pblaha@theochem.tuwien.ac.at" target="_blank">pblaha@theochem.tuwien.ac.at</a>>> wrote:<br>
<br>
No, this is not implemented.<br>
Spin-orbit mixes spin-up and dn for a single eigenvalue and thus<br>
makes it much more difficult.<br>
<br>
<br>
On 03/25/2016 07:24 AM, Paresh Chandra Rout wrote:<br>
<br>
Dear all,<br>
I have a small query. Can I do a fixed moment calculation with<br>
SOC in<br>
Wien2k 14.2 version ?<br>
<br>
<br>
<br>
Kind Regards<br>
Paresh Ch Rout<br>
Research Scholar<br>
Indian Institute Of Science Education and Research Bhopal<br>
<br>
<br>
<br>
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