<style> #mailBodyContentDiv { font-family : Dotum, Verdana, Arial, Helvetica ; background-color: #ffffff;font-size:10pt;} #mailBodyContentDiv BODY { background-color: #ffffff;} #mailBodyContentDiv BODY, TD, TH { color: black; font-family: Dotum, Verdana, Arial, Helvetica; font-size: 10pt; } #mailBodyContentDiv P { margin: 0px; padding:2px;} </style> <div id="mailBodyContentDiv" style="width:100%"> <span style="font-family: µ¸¿ò; font-size: medium;">Dear all users.</span><div><span style="font-family: µ¸¿ò; font-size: medium;"><br></span></div><div><span style="font-family: µ¸¿ò; font-size: medium;">I wanted to plot 3D spin density with xcrysden in G-type AFM ordering TiC and tried with user manual and mailing list.</span></div><div><span style="font-family: µ¸¿ò; font-size: medium;"><br></span></div><div><span style="font-family: µ¸¿ò; font-size: medium;">Finally, I get 3D spin density plot, and have a question.</span></div><div><span!
style="font-family: µ¸¿ò; font-size: medium;"><br></span></div><div><span style="font-family: µ¸¿ò; font-size: medium;">I should select 'norm. flag' (valence state or total state) and don't know which </span><span style="font-family: µ¸¿ò; font-size: medium; ">case </span><span style="font-family: µ¸¿ò; font-size: medium; ">is more meaningful.</span></div><div><span style="font-family: µ¸¿ò; font-size: medium;"><br></span></div><div><span style="font-family: µ¸¿ò; font-size: medium;">In user's manual, valence state use 'case.</span><span style="font-family: µ¸¿ò; font-size: medium; ">clmvalup'file(spin up density file) only, but total state use 'case.clmsum'</span></div><div><span style="font-family: µ¸¿ò; font-size: medium; ">file( spin up + down density file ). </span></div><div><span style="font-family: µ¸¿ò; font-size: medium; "><br></span></div><div><span style="font-family: µ¸¿ò; font-size: medium;">3D spin density plot shapes are different in both ca!
se.</span></div><div><span style="font-family: µ¸¿ò; font-size: medium;"><br></span></div><div><span style="font-family: µ¸¿ò; font-size: medium;">I want to know which case is more physically meaningful figure and the reasons.</span></div><div><span style="font-family: µ¸¿ò; font-size: medium;"><br></span></div><div><span style="font-family: µ¸¿ò; font-size: medium;">Any comments are very helpful for me. </span></div><div><span style="font-family: µ¸¿ò; font-size: medium;"><br></span></div><div><span style="font-family: µ¸¿ò; font-size: medium;">Thank you in advance.</span></div><div><span style="font-family: µ¸¿ò; font-size: medium;"><br></span></div><div><span style="font-family: µ¸¿ò; font-size: medium;"><br></span></div><div><span style="font-family: µ¸¿ò; font-size: medium;"><br></span></div><div><span style="font-family: µ¸¿ò; font-size: medium;"><br></span></div> </div>
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