Dear Dr. Dongwook,

Thanks for the response. Sorry for the late reply. There is no progress since then. I have checked the band specification and there are enough bands. I have also specified the 'numbands' but the problem is not resolved, I am getting the same low eigenvalues in the WF1.eig. For checking, if In the band selection part, When I am selecting the 'minSpinUp' = 1 i.e I am taking the 8 semi core states also in consideration, then I am getting the right eigenvalues in WF1.eig for those 8 semi core states but after that, for other states, the eigenvalues are low, as like,

1 1 -76.9774727416159
2 1 -74.3614419434423
3 1 -42.7758829036926
4 1 -42.7724723783550
5 1 -42.7715031774651
6 1 -40.2044894750745
7 1 -40.2003045554908
8 1 -40.1998621266440
9 1 -1.2954944520500
10 1 -1.2631619413395
11 1 -0.1105172816145
12 1 -0.1091698097983
13 1 -0.0741706649139
14 1 -0.0717061328463
15 1 -0.0018172228691
16 1 -0.0017991241980
17 1 -0.0016567566953
18 1 -0.0015745375352
19 1 -0.0013867193426
20 1 -0.0012794816645
21 1 -0.0009830504289
22 1 -0.0008180960883
23 1 -0.0001223117790
24 1 -0.0000717872509
25 1 -0.0000504201766
26 1 -0.0000416941455
27 1 -0.0000213969807
28 1 -0.0000197568013
29 1 -0.0000188298241
30 1 -0.0000004269765
31 1 -0.0000003887375
32 1 0.0000000000000
33 1 0.0000000000000
34 1 0.0000024818106
35 1 0.0000286261794
36 1 0.0000389060930
1 2 -1.2755994537595
2 2 -1.2695842958901
3 2 -0.1060250881514
4 2 -0.1052082709723
.............

I have also checked the convergence calculation. That is ok. I don't understand why for 9 to 44 Bloch states the eigenvalues in WF1.eig are so low.

Thanks,
Subhadip