Dear Wien2k Users, 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? ? bandindex:?????????? 1 ?? 0.00000?? 0.00000?? 0.58630?? 0.00000 -48.67837 ?? 0.03082?? 0.00000?? 0.58630?? 0.03082 -48.67836 ?? 0.06165?? 0.00000?? 0.58630?? 0.06165 -48.67841 ?? 0.09247?? 0.00000?? 0.58630?? 0.09247 -48.67856 ?? 0.12329?? 0.00000?? 0.58630?? 0.12329 -48.67847 ?? 0.15412?? 0.00000?? 0.58630?? 0.15412 -48.67836 ?? 0.18494?? 0.00000?? 0.58630?? 0.18494 -48.67820 ?? 0.21576?? 0.00000?? 0.58630?? 0.21576 -48.67802 ?? 0.24659?? 0.00000?? 0.58630?? 0.24659 -48.67780 ?? 0.27740?? 0.00000?? 0.58630?? 0.27740 -48.67755 ?? 0.30822?? 0.00000?? 0.58630?? 0.30822 -48.67776 ?? 0.33905?? 0.00000?? 0.58630?? 0.33905 -48.67676 ?? 0.36987?? 0.00000?? 0.58630?? 0.36987 -48.67671 ?? 0.40069?? 0.00000?? 0.58630?? 0.40069 -48.67815 ?? 0.43152?? 0.00000?? 0.58630?? 0.43152 -48.67820 ?? 0.46234?? 0.00000?? 0.58630?? 0.46234 -48.67822 ?? 0.00000?? 0.02669?? 0.58630?? 0.77054 -48.67836 ?? 0.03082?? 0.02669?? 0.58630?? 0.80137 -48.67844 ?? 0.06164?? 0.02669?? 0.58630?? 0.83219 -48.67851 ?? 0.09246?? 0.02669?? 0.58630?? 0.86301 -48.67845 ?? 0.12329?? 0.02669?? 0.58630?? 0.89384 -48.67836 ?? 0.15411?? 0.02669?? 0.58630?? 0.92466 -48.67834 ?? 0.18493?? 0.02669?? 0.58630?? 0.95547 -48.67819 ?? 0.21576?? 0.02669?? 0.58630?? 0.98630 -48.67801 ?? 0.24658?? 0.02669?? 0.58630?? 1.01712 -48.67779 ?? 0.27740?? 0.02669?? 0.58630?? 1.04794 -48.67788 ?? 0.30823?? 0.02669?? 0.58630?? 1.07877 -48.67794 ?? 0.33905?? 0.02669?? 0.58630?? 1.10959 -48.67675 ?? 0.36987?? 0.02669?? 0.58630?? 1.14041 -48.67742 ?? 0.40070?? 0.02669?? 0.58630?? 1.17124 -48.67732 ?? 0.43152?? 0.02669?? 0.58630?? 1.20206 -48.67819 ?? 0.46234?? 0.02669?? 0.58630?? 1.23288 -48.67821 ?? 0.00000?? 0.05339?? 0.58630?? 1.54108 -48.67853 ?? 0.03082?? 0.05339?? 0.58630?? 1.57190 -48.67841 ?? 0.06164?? 0.05339?? 0.58630?? 1.60272 -48.67849 ?? 0.09247?? 0.05339?? 0.58630?? 1.63354 -48.67843 ? Thank you very much in anticipation for your help Alex A. -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120311/8f56ec61/attachment.htm>
