Dear All, Thank you very much. I kill the job and restart it. Now it work. Thank you very much for all the time. Best regards, SZ
2010/7/3 shizheng wen <chsz...@gmail.com>: > Dear All, > Thank you very much for the time. > When I run the TBTRANS code, it is suspending. > > The last few line of output by the TBTRANS. > " > Projection Region: atoms : [ 49;160 ] > Projection Region: states: [ 1;*** ] ;*** > > Starting K-Point loop for spin: 1 > > " > Did the scattering region is too large? > It has run 13568 minute, but it seems never going on. > I had test the tbtrans before, and this smaller system side, it runs OK. > The system that I had run contain Al(111) 4X4 with 48 Al atoms in the > lead. And for the transport run, the total atoms number in the > scattering region is 208 atoms. > Do you encounter this before. Anyone please give some suggestion? > > Best regards, > Shizheng Wen > -- Sincerely, Shizheng Wen Dept. of Chem., NENU. Changchun, Jilin, China
