[Wien] narrow band at the Fermi level in larger organic system

[Yue Hai]

Dear Wien2k  users :
   I have calculated a larger organic system (the space group is  P21/n and 
there are 36 inequivalent atoms in the unit cell ). The DOS shows that 
there is a narrow spin-up band (about 0.3ev wide) crossing the Fermi level. 
But the band  calculation along the k direction like 
A(0,0,0)--->B(0,-1,0)--->C(0,-1,-1)-- D(0,0,0)  shows that there is only a 
much narrower band (only about 0.04 eV) near the Fermi level. I have also 
chosen  several other k directions,  but the spin-up band near the Fermi 
level are all about only 0.04eV wide. These k points are  generated by the 
XcrysDen program.   Furthermore, the E-k  dispersion is not very smooth as 
usual case. I want to know if someone can help me to solve this problem.
 
Thanks 
 Hai

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