The first three columns are the x,y,z coordinates of each kpoint in units of 1/bohr. I have not used that procedure for plotting the fermi surface, but I would guess x-len and y-len could be set to the maximum values in columns 1 and 2 respectively. Or if you are using the "FLIP" setting, maybe set both x-len and y-len to the same maximum value. <div>
<br></div><div>Greg</div><div><br></div><div><br><div><div class="gmail_quote">2012/3/11 Alex Animalu <span dir="ltr"><<a href="mailto:ibr32@yahoo.com">ibr32@yahoo.com</a>></span><br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<table cellspacing="0" cellpadding="0" border="0"><tbody><tr><td valign="top" style="font:inherit"><div>Dear Wien2k Users,</div>
<div>I am very new to WIEN2K and want to plot the Fermi surface following the instructions given in the UG. My question is on how to determine the x-len and y-len of the two directions of the plane (in bohr^-1). The UG said that this can be found in case.spaghetti_ene. Which line is this number located? Assuming my case.spaghetti_ene with total bandindex of 22 with the first band index is as shown below, how do I determine these two values from the data?</div>
<div> </div>
<div>Please help me out as I am stuck.</div>
<div> </div>
<div>bandindex: 1<br>0.00000 0.00000 0.58630 0.00000 -48.67837<br>0.03082 0.00000 0.58630 0.03082 -48.67836<br>0.06165 0.00000 0.58630 0.06165 -48.67841<br>0.09247 0.00000 0.58630 0.09247 -48.67856<br>0.12329 0.00000 0.58630 0.12329 -48.67847<br>
0.15412 0.00000 0.58630 0.15412 -48.67836<br>0.18494 0.00000 0.58630 0.18494 -48.67820<br>0.21576 0.00000 0.58630 0.21576 -48.67802<br>0.24659 0.00000 0.58630 0.24659 -48.67780<br>0.27740 0.00000 0.58630 0.27740 -48.67755<br>
0.30822 0.00000 0.58630 0.30822 -48.67776<br>0.33905 0.00000 0.58630 0.33905 -48.67676<br>0.36987 0.00000 0.58630 0.36987 -48.67671<br>0.40069 0.00000 0.58630 0.40069 -48.67815<br>0.43152 0.00000 0.58630 0.43152 -48.67820<br>
0.46234 0.00000 0.58630 0.46234 -48.67822<br>0.00000 0.02669 0.58630 0.77054 -48.67836<br>0.03082 0.02669 0.58630 0.80137 -48.67844<br>0.06164 0.02669 0.58630 0.83219 -48.67851<br>0.09246 0.02669 0.58630 0.86301 -48.67845<br>
0.12329 0.02669 0.58630 0.89384
-48.67836<br>0.15411 0.02669 0.58630 0.92466 -48.67834<br>0.18493 0.02669 0.58630 0.95547 -48.67819<br>0.21576 0.02669 0.58630 0.98630 -48.67801<br>0.24658 0.02669 0.58630 1.01712 -48.67779<br>0.27740 0.02669 0.58630 1.04794 -48.67788<br>
0.30823 0.02669 0.58630 1.07877 -48.67794<br>0.33905 0.02669 0.58630 1.10959 -48.67675<br>0.36987 0.02669 0.58630 1.14041 -48.67742<br>0.40070 0.02669 0.58630 1.17124 -48.67732<br>0.43152 0.02669 0.58630 1.20206 -48.67819<br>
0.46234 0.02669 0.58630 1.23288 -48.67821<br>0.00000 0.05339 0.58630 1.54108 -48.67853<br>0.03082 0.05339 0.58630 1.57190 -48.67841<br>0.06164 0.05339 0.58630 1.60272 -48.67849<br>0.09247 0.05339 0.58630 1.63354 -48.67843</div>
<div></div>
<div>Thank you very much in anticipation for your help</div>
<div>Alex A.</div></td></tr></tbody></table><br>_______________________________________________<br>
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<br></blockquote></div><br></div></div>