[Pw_forum] Transmission from PWCOND

2014-06-19 Thread Vladislav Borisov
Dear Dr. Sclauzero, I agree with you. We're testing now the current stable version and, indeed, it doesn't show this discrepancy. With best regards, Vladislav Borisov > Dear Vladislav, > >I think there was an erroneous extra factor 2 in some PWcond > versions between 5.0 and 5.0.2. I woul

[Pw_forum] Transmission from PWCOND

2014-06-18 Thread Sclauzero Gabriele
Dear Vladislav, I think there was an erroneous extra factor 2 in some PWcond versions between 5.0 and 5.0.2. I would stick to the latest stable version 5.1, recently released. Best regards, GS > I calculate the spin-polarized transmission for a tunnel junction > using the PWCOND code. T

[Pw_forum] Transmission from PWCOND

2014-06-15 Thread nicvok
Vladislav Borisov > Subject: [Pw_forum] Transmission from PWCOND > To: pw_forum at pwscf.org > Message-ID: > Content-Type: text/plain; charset=UTF-8; format=flowed > > Dear all, > > I calculate the spin-polarized transmission for a tunnel junction > using the PWCOND code. The c

[Pw_forum] Transmission from PWCOND

2014-06-12 Thread Vladislav Borisov
Dear all, I calculate the spin-polarized transmission for a tunnel junction using the PWCOND code. The calculation is performed for each k-point in the irreducible part of the Brillouin Zone separately. At the end of each output file one sees the contributions to the transmission from different pr