[Wien] [WIEN]Maybe It is a Mini-Bug in Joint

Jun Jiang czjiangjun at gmail.com
Sat Nov 18 13:51:08 CET 2006


Dear Professor Blaha:
       In SRC_joint/noculc.f line 148,It reads that

      DOS2=(E-E3)*DOS1

     however, in line154-155 the term F2 is expressed as below:
      F2=(FAC(NF,4)-FAC(NF,1))/E41+(FAC(NF,4)-FAC(NF,2))/E42 &
         +(FAC(NF,4)-FAC(NF,3))/E43
     After I have checked this reference,
     G. Lehmann and M. Taut, Phys. Status Solidi B 54, 469 (1972)
I believe DOS2 should be modified like this

     DOS2=(E3-E)*DOS1

      Best Regards!
                                                              Yours
sincerely Jun Jiang


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