<div dir="ltr"><div>Dear Sir,<br><br></div>Thank you very much for your replay.<br><div class="gmail_extra"><br><br><div class="gmail_quote">On Sat, Mar 29, 2014 at 5:55 PM, <span dir="ltr"><<a href="mailto:tran@theochem.tuwien.ac.at" target="_blank">tran@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">Yes, this is the correct procedure.<div class="HOEnZb"><div class="h5"><br>
<br>
On Sat, 29 Mar 2014, Peram sreenivasa reddy wrote:<br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Dear WIEN2k,<br>
<br>
I am working on magnetic compound. For my system i got total magnetic moment<br>
1.95 bohr magneton. Now i want to do fixed spin moment calculations.<br>
<br>
My quires are<br>
1). To do fixed spin moment calculations, first i have to initiate the calculations in spin<br>
polarized case after that i have to give the run command like "runfsm_lapw -m 1.95 -ec 0.000001".<br>
Is it correct way or give any suggestions?<br>
<br>
2). To check weather this magnetic moment is correct or not i have to take different magnetic moment<br>
values like 0.5, 1.0, 1.5, 2.0, 2.5, 3.0. For all the values i have to run scf and check the total<br>
energy for each fsm value. After this i have to plot total energy verses magnetic moment values. In<br>
this plot where i get the minimum energy for a particular fsm value, that magnetic moment value i<br>
should have to consider.<br>
Is this correct procedure?<br>
<br>
Please suggest me further.<br>
<br>
Thank you very much in advance.<br>
<br>
<br>
<br>
<br>
</blockquote>
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