[Pw_forum] About the parameter 'npol' in the PWCOND

Keisuke Masuda MASUDA.Keisuke at nims.go.jp
Mon Jul 11 12:19:50 CEST 2016


Dear all,

Now I calculate angular momentum projection of transmission using the PWCOND.
My output file has the following statements:
=============================
Nchannel, Norbital, projection
    8    1 -0.028304190152  0.030204585367
    8    2 -0.053420687891  0.048876588249
    8    3 -0.086605174648 -0.722993207286
    *    * ***************  ************** 
    *    * ***************  **************  
=============================
As you can see, ``projection'' has two components.
I read the source file ``transmit.f90'', and found the following descriptions in it:
=======================================
    write(stdout,*) 'Nchannel, Norbital, projection'
!---------------------------
!   Angular momentum projection of eigenchannels
!
    do n = 1, nchanl
     if(eigen(n).gt.1.d-5) then
      do iorb = orbj_in, orbj_fin
         do ipol=1, npol
            iorba=(iorb-1)*npol+ipol
            xi1(ipol) = 0.d0
            do ig = 1, 2*n2d
               xi1(ipol) = xi1(ipol)+intw1(iorba, ig)*vec2(ig, n)
            enddo
            do ig = 1, norbs*npol
               xi1(ipol) = xi1(ipol)+intw2(iorba, ig)*vec2(2*n2d+ig, n)
            enddo
         enddo
         write(stdout,'(2i5,2f16.12,2x,2f16.12)') n, iorb-orbj_in+1,   &
                                      (xi1(ipol),ipol=1,npol)

      enddo
     endif
    enddo
!------------------------
=======================================
>From this, I understood that npol=2 in my case.
But in this source file, I couldn't find the explanation of the variable ``ipol'' and the parameter ``npol''.

Could anyone teach me the meaning of ``ipol'' and ``npol'' ?

Best regards,

K. Masuda

********************************************
Keisuke Masuda
National Institute for Materials Science (NIMS)
Research Center for Magnetic and Spintronic Materials
Magnetic Materials Group
1-2-1 Sengen, Tsukuba, Ibaraki 305-0047, JAPAN
E-mail: MASUDA.Keisuke at nims.go.jp
Tel: +80-29-851-3354 (ext. 6706)
********************************************




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