Thanks so much! ------------------ Original ------------------ From: "Mehmet Topsakal"<topsa...@unam.bilkent.edu.tr>; Date: Sun, Apr 4, 2010 05:19 PM To: "siesta-l"<siesta-l@uam.es>; Subject: Re: [SIESTA-L] the output files by transiesta
this link should work. http://www.cesca.es/promocio/aula/ On Fri, Apr 2, 2010 at 5:45 AM, Guangping Zhang <zgp...@126.com> wrote: Dear Mehmet : I can not find anything about the .TRANS files in the manual from http://www.cesca.es/en/promocio/aula/index.html#transiesta .You said : The third column contains the density of states projected onto the orbitals of the contact region.But the third column is a function of energy (Total PDOS) or function of energy and Kxy (PDOS on each K point).Can you tell me how it projectes onto the orbitals of the contact region! Can you explain me in detail? By the way , can transiesta do geometry under bias? BEST WISHES! ------------------ Original ------------------ From: "Guangping Zhang"<zgp...@126.com>; Date: Fri, Mar 5, 2010 09:11 PM To: "siesta-l"<siesta-l@uam.es>; Subject: Re: [SIESTA-L] the output files by transiesta can you mail me a whole copy of the transiesta manual?thanks in advance !(I can not find it on the website you provide!) ------------------ BEST REGARDS! Guangping Zhang ----------------------------------- Atom and Melecular Physics Physics and Electronics College Shandong Normal University Shandong,Jinan,China ------------------------------------ ------------------ Original ------------------ From: "Mehmet Topsakal"<topsa...@unam.bilkent.edu.tr>; Date: Sat, Feb 27, 2010 04:53 PM To: "siesta-l"<siesta-l@uam.es>; Subject: Re: [SIESTA-L] the output files by transiesta Hi, The attached pdf file might be useful that i get from http://www.cesca.es/en/promocio/aula/index.html#transiesta .. as it says: For .TRANS files, the rst column is the energy of the incident electrons, with E = 0 representing the average of the left and right electrochemical potentials. The second column contains the total transmission probability for electrons incident from deep within the left or right electrodes. The third column contains the density of states projected onto the orbitals of the contact region. Mehmet Topsakal PhD. UNAM-Institute of Materials Science and Nanotechnology, Bilkent, Ankara, Turkey. On Sat, Feb 27, 2010 at 10:40 AM, uu zhu <uuzhu...@gmail.com> wrote: Dear All, These days, I tested transiesta and it worked well. However, some files were generated and I cannot know what the meanings of the values in the output files, which are not mentioned in the manual as well. In the '.TR.DOWN.TRANS' or '.TR.UP.TRANS', I get some date below and I do not know the meanings of last three columns. # Kxy-point: 1 of Node 0 # kxy=0.000 0.000 , w= 1.0000 -1.00000 0.29926998E+01 0.85498521E+01 0.85498521E+01 -0.97980 0.29923576E+01 0.85815546E+01 0.85815546E+01 ........ And I also do not what the last columns in 'TR.DOWN (or UP).AVTRANS', 'TR.DOWN (or UP).TEIG' mean. Can anybody help me about that? Thanks. -- WANG PhD Nanyang Technological University Singapore
