Dear gaohaiyuan, That what it is ! Give it some more time to finish your job.
Cheers! 2010-09-17 Guangping Zhang 发件人: "gaohaiyuan" <[email protected]> 发送时间: 2010-09-17 16:14 主 题: [SIESTA-L] Question about tbtrans, output file stops to update. 收件人: siesta-l <[email protected]> Dear siesta users, The problem I encountered is that the transiesta part has ran to the end sucessfully. For the tbtrans part, the tbtrans process is still running, while the output file stops to update, ending with these lines, unit cell: 8.0502 0.0000 0.0000 0.0000 15.1183 0.0000 0.0000 0.0000 4.6478 unit cell: 8.0502 0.0000 0.0000 0.0000 15.1183 0.0000 0.0000 0.0000 4.6478 ============================================================== Projection Region: atoms : [ 5; 76 ] Projection Region: states: [ 1;648 ] ;648 Starting K-Point loop for spin: 1 After three hours, the output file has not changed. Could somebody give me a hand? Accessories are the .fdf input files, the transiesta output file and tbtrans output file. Thank you very much!
