<div dir="ltr"><div><div><div><div><div><div><div>Dear WIEN2k,<br><br></div> I am working on magnetic compound. For my system i got total magnetic moment 1.95 bohr magneton. Now i want to do fixed spin moment calculations.<br>
<br></div> My quires are<br></div>1). To do fixed spin moment calculations, first i have to initiate the calculations in spin polarized case after that i have to give the run command like "runfsm_lapw -m 1.95 -ec 0.000001".<br>
</div>Is it correct way or give any suggestions?<br><br></div>2). To check weather this magnetic moment is correct or not i have to take different magnetic moment 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 energy for each fsm value. After this i have to plot total energy verses magnetic moment values. In this plot where i get the minimum energy for a particular fsm value, that magnetic moment value i should have to consider.<br>
</div>Is this correct procedure?<br><br></div><div>Please suggest me further.<br></div><div><br></div>Thank you very much in advance.<br><div><div><div><div><div><div><div><div><br clear="all"><div><br><br></div></div></div>
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