Re: num.LUMO ( No.1 ) 
 Date: 2018/05/01 01:31
 Name: Naoya Yamaguchi
 Hi,
Assuming that the band index of highest occupied band is 10, if the keyword "num.LUMO" ("num.HOMO") is set to 2, the bands with the band index of 1112 (910) are outputted.
Regards, Naoya Yamaguchi

Re: num.LUMO ( No.2 ) 
 Date: 2018/05/01 02:20
 Name: Riemann <riemann.derakhshan@gmail.com>
 Dear Naoya Yamaguchi,
Thank you so much for Your favor. I will be very thankful if you guide me how I can get the band index of the highest occupied band?
Bests, Riemann

Re: num.LUMO ( No.3 ) 
 Date: 2018/05/01 06:32
 Name: ChiCheng Lee <cclee.physics@gmail.com>
 Dear Riemann,
If I were you, I will run band structure calculation to get familiar with the band index at desired k points.
Cheers, ChiCheng

Re: num.LUMO ( No.4 ) 
 Date: 2018/05/01 12:24
 Name: Naoya Yamaguchi
 Dear Riemann,
>If I were you, I will run band structure calculation to get familiar with the band index at desired k points. I approve of his suggestion, and from the band dispersion you should find the relation of bands you want to draw to the highest occupied band in terms of energy.
Regards, Naoya Yamaguchi

Re: num.LUMO ( No.5 ) 
 Date: 2018/05/01 12:47
 Name: Riemann <riemann.derakhshan@gmail.com>
 Dear all,
Thank you so much for your help.
Bests, Riemann

Re: num.LUMO ( No.6 ) 
 Date: 2018/05/01 16:43
 Name: Riemann
 Dear all,
I'm wondering if there any way to extract "ONLY" the charge density corresponding to definite kpoint and definite band number? Because in the present way in which OpenMX provide, in order to get desired charge density you have to get more charge density corresponding to below(above) bands which really you may don't need them. For example, suppose in my case the highest occupied band index is 10 if I want the charge density corresponding the band index 15, I have to set the num.LUMO = 15 and then it will extract charge densities corresponding to band indexes = 11,12,13,14 as well that it needs more hard disk space to store them.
Bests, Riemann

