[Wien] How to get 3D electrostatic potential

Yin Wanjian wanjianyin at hotmail.com
Mon Jan 23 21:14:34 CET 2012


Dear Wien2K-ers,
     From the UG, I know that we can use lapw5 to get the 2D electropotential for selected slice. My question is that is it possible to get the 3D potential, since I am interested in the xy-slice-average potential along a z line. Certainly, picking up a large number of xy surface along z direction could be one choice. While it need a lot of repeated 'x lapw5'. If 3D potential could be gotten in a single file, it is more convenient. 
Thanks,Wanjian Yin     		 	   		  
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