Dear Siesta users After relaxation of nanoribbon when I am running my transiesta calculations, Qt0 and Qt values are not same. And my transiesta didnt converge what should I do?
Efermi from SIESTA : -3.47054 Total charge [Qt0] : 414.00000 Charge in update region [Qc] : 133.70127 Charge outside update region [Qcn] : 280.29873 Left electrode [L] : 133.72936 Left electrode/device [L-C] : 3.91751 Device [C] : 133.70127 Device/right electrode [C-R] : 4.65178 Right electrode [R] : 133.34561 Other [O] : 4.65448 Reading GF file, with title: nanoribbon.TSGFL Title: 'Generated GF file' Reading GF file, with title: nanoribbon.TSGFR Title: 'Generated GF file' ts-charge: O L L-C C C-R R Qt ts-charge: 4.654 133.729 3.918 329.548 4.652 133.346 609.847 Thank You With Regards Rajan
