[Wien] Would PDOS always align with the one shown in TDOS?

[Saeid Jalali]

Hi,
   Total DOS has the  characterization of all the other partial DOS's and can be obtained, as  it comes from its name,  from a summation over all the lm-like  partial DOS's in the spheres plus the interstitial DOS with no  specified lm.
One then rarely expects to observe similar behavior form total and partial DOS's.
    
"H. Duan" <duanhe at mail.sitp.ac.cn> wrote:  Dear wien2k users and developers,
  I calculated the total density of states (TDOS)of CdTe following the  instructions in the userguide,then I checked the lm-like partial  density of states (PDOS) for Cd and Te atoms, but the conduction band  edge of the PDOS is not always align with the one shown in the TDOS.  How to explain it?

With best regards, 
 
He Duan, PhD
Room 24309, National Laboratory for Infrared Physics
Institute of Technical Physics
Chinese Academy of Sciences
500 Yutian Road
Shanghai, 200083, China
E-mail: duanhe at mail.sitp.ac.cn, duanhe_xju at yahoo.com.cn
Tel: +86(0)21 65420850 ext.24309


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Sincerely yours,
S. Jalali.
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Saeid Jalali Asadabadi,
Department of Physics, Faculty of Science,
University of Isfahan (UI), Hezar Gerib Avenue,
81744 Isfahan, Iran.
Phones:
Dep. of Phys.  :+98-0311-793 2435
Office                          :+98-0311-793 2430
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E-mail             :s_jalali_a at yahoo.com
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