Dear: in prof. Mads Brandbyge's article 'Density functional method for nonequilibrium electron transport' it shows the figure I attached. if I want to reproduce this file, I need to use first line(energy?) and second line(total transmission?) in TRANS file at 0 bias?
plz help me! thanks a lot! -- Best Regards 邱芳瑜 Chiu Fang Yu 國立成功大學 材料科學與工程學系碩二 MOBILE：0930287221(中華) GMAIL：[email protected] <[email protected]> 2014-11-18 14:01 GMT+08:00 joyce79928cc . <[email protected]>: > Dear: > > what's the meaning of lines in these file? > for example in .TRANS file > # Kxy-point: 1 > # kxy=-.379 0.219 , w= 0.1111 > # Kxy-point: 1 of Node 0 > # kxy=-.379 0.219 , w= 0.1111 > -4.00000 0.38546264E-17 0.24923524E-06 0.24923524E-06 > -3.98327 0.40643064E-17 0.25443921E-06 0.25443921E-06 > -3.96655 0.42863699E-17 0.25977719E-06 0.25977719E-06 > -3.94983 0.45216086E-17 0.26525331E-06 0.26525331E-06 > -3.93311 0.47708687E-17 0.27087189E-06 0.27087189E-06 > -3.91638 0.50350553E-17 0.27663738E-06 0.27663738E-06 > -3.89966 0.53151364E-17 0.28255441E-06 0.28255441E-06 > -3.88294 0.56121477E-17 0.28862777E-06 0.28862777E-06 > -3.86622 0.59271980E-17 0.29486244E-06 0.29486244E-06 > -3.84949 0.62614744E-17 0.30126358E-06 0.30126358E-06 > ... > # Kxy-point: 1 of Node 1 > # kxy=0.000 0.000, w=0.1111 > -4.00000 0.41789639E-12 0.20516310E-04 0.20516310E-04 > -3.98327 0.47758951E-12 0.21840304E-04 0.21840304E-04 > -3.96655 0.54716089E-12 0.23282519E-04 0.23282519E-04 > -3.94983 0.62849352E-12 0.24856800E-04 0.24856800E-04 > -3.93311 0.72388145E-12 0.26579034E-04 0.26579034E-04 > -3.91638 0.83613199E-12 0.28467514E-04 0.28467514E-04 > -3.89966 0.96869680E-12 0.30543392E-04 0.30543392E-04 > -3.88294 0.11258407E-11 0.32831217E-04 0.32831217E-04 > -3.86622 0.13128613E-11 0.35359613E-04 0.35359613E-04 > -3.84949 0.15363750E-11 0.38162100E-04 0.38162100E-04 > -3.83277 0.18046952E-11 0.41278130E-04 0.41278130E-04 > -3.81605 0.21283321E-11 0.44754376E-04 0.44754376E-04 > -3.79933 0.25206633E-11 0.48646360E-04 0.48646360E-04 > ... > and in .TEIG file > # Kxy-point: 1 > # kxy=-.120 0.069 , w= 0.0278 > # Kxy-point: 2 > # kxy=-.060 0.035 , w= 0.0278 > # Kxy-point: 3 > # kxy=0.000 0.000 , w= 0.0278 > # Kxy-point: 1 of Node 0 > # kxy=-.120 0.069 , w= 0.0278 > -2.00000 0.00085 0.00012 0.00003 0.00021 0.00000 > -1.92000 0.00094 0.00011 0.00002 0.00019 0.00000 > -1.84000 0.00135 0.00010 0.00001 0.00016 0.00000 > -1.76000 0.00217 0.00009 0.00014 0.00001 0.00000 > -1.68000 0.00353 0.00008 0.00013 0.00000 0.00000 > -1.60000 0.00604 0.00010 0.00000 0.00013 0.00000 > -1.52000 0.01040 0.00009 0.00013 0.00000 0.00000 > ... > > how to read these numbers? > Thanks! > > -- > Best Regards > > 邱芳瑜 Chiu Fang Yu > 國立成功大學 材料科學與工程學系碩二 > MOBILE：0930287221(中華) > GMAIL：[email protected] <[email protected]> > > >
