<br clear="all"><span class="Apple-style-span" style="border-collapse: collapse; font-family: arial, sans-serif; font-size: 13px; ">Dear wien2k users,<br><br>According to the Stoner band theory of magnetism, one can able to predict the magnetic ground state of the material as it is paramagnetic or ferromagnetic using product of the non magnetic density of states around the Fermi level (N(E)) and the Stoner parameter (I). As given in some of the literature, the Stoner parameter can be described as the exchange integral and it could be found using LSDA and LMTO methods. see the fallowing literature...<br>
<br>1. <a href="http://prb.aps.org/pdf/PRB/v16/i1/p255_1" target="_blank" style="color: rgb(35, 87, 195); ">http://prb.aps.org/pdf/PRB/v16/i1/p255_1</a><br><br>2. <a href="http://jap.aip.org/resource/1/japiau/v89/i11/p6889_s1" target="_blank" style="color: rgb(35, 87, 195); ">http://jap.aip.org/resource/1/japiau/v89/i11/p6889_s1</a><br>
<br>We are doing our calculations in Wein2K package using the GGA approximation and we want to know how the stoner parameter could be found according to the my calculations. As non magnetic calculations gives the total density of states at around the Fermi level, it is very helpful for us to predict the material is magnetic or not using the Stoner parameter. therefore, please suggest us how to find the Stoner parameter using wein2k package.</span><br>
-- <br>Shamik Chakrabarti<br>Research Scholar<br>Dept. of Physics & Meteorology<br>Material Processing & Solid State Ionics Lab<br>IIT Kharagpur<br>Kharagpur 721302<br>INDIA<br>