<div dir="ltr"><div>Dear users,</div><div>I am trying to generate an orbital charge decomposed plot. Can anyone suggest what should be taken as band number from xmgr file?</div><div>The below column is one of 400 columns in the output file xmgr</div><div>0.0000  -5.5720<br>  0.0577  -5.5720<br>  0.1155  -5.5730<br>  0.1732  -5.5750<br>  0.2309  -5.5760<br>  0.2887  -5.5770<br>  0.3464  -5.5770<br>  0.4041  -5.5770<br>  0.4619  -5.5760<br>  0.5196  -5.5750<br>  0.5774  -5.5740<br>  0.6107  -5.5740<br>  0.6440  -5.5730<br>  0.6774  -5.5720<br>  0.7107  -5.5710<br>  0.7440  -5.5690<br>  0.7774  -5.5680<br>  0.8107  -5.5700<br>  0.8440  -5.5730<br>  0.8774  -5.5770<br>  0.9107  -5.5800<br>  0.9774  -5.5770<br>  1.0440  -5.5770<br>  1.1107  -5.5780<br>  1.1774  -5.5790<br>  1.2440  -5.5790<br>  1.3107  -5.5780<br>  1.3773  -5.5760<br>  1.4440  -5.5730<br>  1.5107  -5.5720<br>  1.5773  -5.5720<br>  1.6238  -5.5730<br>  1.6703  -5.5750<br>  1.7168  -5.5780<br>  1.7633  -5.5830<br>  1.8098  -5.5880<br>  1.8562  -5.5910<br>  1.9027  -5.5930<br>  1.9492  -5.5940<br>  1.9957  -5.5940<br>  2.0422  -5.5940</div><div>How should I know which one belong to VBM /CBM ?</div><div><br></div><div>Thank You</div><div>Satya</div><div>PhD Scholar</div><div>IITM<br></div></div>