[Wien] Understanding case.irrep(so) output

[Wen Fong Goh]

case.outputir(so) has the answer to my question.
From: christopher_gohwf at hotmail.com
To: wien at zeus.theochem.tuwien.ac.at
Date: Fri, 22 Apr 2016 08:46:05 +0800
Subject: [Wien] Understanding case.irrep(so) output




Hi, I want to calculate the band parity, so I executed x irrep -so, but I don't quite understand the output file irrepso. Have no luck searching the mailing list nor userguide. Here are some band indices at Gamma, what do the rest of the columns mean?

        47         2  0.302712    6  1    0  0    0  0    0  0 
        48         2  0.302712    6  1    0  0    0  0    0  0 
        49         4  0.321638   -8  2    0  0    0  0    0  0 
        50         4  0.321638   -8  2    0  0    0  0    0  0 


 		 	   		  

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