Thank you for responding, i am using siesta-3.2-pl-5 another question: how to read thess lines : # Kxy-point: 1 # kxy=-.318 0.000 , w= 0.0100 # Kxy-point: 2 # kxy=-.239 0.000 , w= 0.0100 # Kxy-point: 3 .....
From: [email protected] Date: Thu, 29 Oct 2015 16:31:47 +0100 To: [email protected] Subject: Re: [SIESTA-L] k resolved transmission Energy | transmission | DOS | PDOS I can't recall that exact file format, I think it is the _old_ tbtrans format, I would suggest you use the latest version of tbtrans (TBtrans_rep from the trunk versions). 2015-10-29 16:22 GMT+01:00 toufik esssakhri <[email protected]>: The .TRANS ile is organized like this: # Kxy-point: 1 # kxy=-.318 0.000 , w= 0.0100 # Kxy-point: 2 # kxy=-.239 0.000 , w= 0.0100 # Kxy-point: 3 # kxy=-.159 0.000 , w= 0.0100 # Kxy-point: 4 # kxy=-.080 0.000 , w= 0.0100 # Kxy-point: 5 # kxy=0.000 0.000 , w= 0.0100 # Kxy-point: 6 # kxy=0.080 0.000 , w= 0.0100 # Kxy-point: 7 # kxy=0.159 0.000 , w= 0.0100 # Kxy-point: 1 of Node 0 # kxy=-.318 0.000 , w= 0.0100 -1.00000 0.66282037E-05 0.23599483E+01 0.23599483E+01 -0.97980 0.18841037E-04 0.40292591E+01 0.40292591E+01 -0.95959 0.22743037E-05 0.11102218E+01 0.11102218E+01 -0.93939 0.20000076E-06 0.90877254E+00 0.90877254E+00 -0.91919 0.36447412E-06 0.14495367E+01 0.14495367E+01 -0.89899 0.76852932E-06 0.15338856E+01 0.15338856E+01 -0.87879 0.66309533E-06 0.15300519E+01 0.15300519E+01 -0.85858 0.54519861E-06 0.15150338E+01 0.15150338E+01 .............. i do not understand how to read it, what corresponds each coloumn? From: [email protected] Date: Thu, 29 Oct 2015 16:08:51 +0100 To: [email protected] Subject: Re: [SIESTA-L] k resolved transmission The TRANS file contains the k-resolved transmissionAVTRANS contains the k-averaged transmission. 2015-10-29 16:04 GMT+01:00 toufik esssakhri <[email protected]>: Dear all, please, can you give me some guide to plot the k resolved transmission cheers taoufik -- Kind regards Nick -- Kind regards Nick
