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.keis...@nims.go.jp Tel: +80-29-851-3354 (ext. 6706) ******************************************** _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum