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
