<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman,new york,times,serif;font-size:12pt"><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><div>Dear all,<br>I am running a pwcond program for system made of Al electrodes and vaccum (> 10 angstrom) in between. Even for such a large vaccum I get nonzero values (10e-1 to 10e-4) of transmission coefficient (T) at higher energies (> 2 eV +Ef). for energies < 2 eV, T become almost zero. After 0.8 eV +Ef energy the program got terminated giving error:<br> error # 5411<br>problems with the linear system. <br>What might be a source of error in my case? Can I substract this contribution of leads from the T values I got for electrode-molecule-electrode system to get accurate T in case of molecule attached to electrodes?<br>The other question is little sidelined. Why Al is not used as electrode in most
of the studies? In other words, what are the drawbacks of using Al
as an electrode?<br><br>regards<br>Sagar Ambavale<br>PhD student<br>M.S. University of Baroda<br>India<br></div></div></div><br>
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