Dear siesta user
I am performing a transiesta calculation for the same electrodes.But I got the
following error. In my
calculation, Transiesta do well in the SCF iterations
unit cell:
16.3485 0.0000 0.0000
-8.1743 14.1582 0.0000
0.0000 0.0000 13.3485
unit cell:
16.3485 0.0000 0.0000
-8.1743 14.1582 0.0000
0.0000 0.0000 13.3485
ERROR: lastoL,NGL2 0 9 18 27 36
45 54 63 72 81 94
99 104 117 122 127 140 153
158 163 168 173 186 199 204
209 222 231 243
ERROR: Unexpected no. orbs. in L elec.
ERROR STOP from Node: 0
attach my fdf file for electrode and Scatterin
Best regards
elecINPUT.fdf
Description: application/vnd.fdf
INPUT.fdf
Description: application/vnd.fdf
POSITIONS.fdf
Description: application/vnd.fdf
