[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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