[SIESTA-L] Help Compiling Siesta 4.1 b4

Hello, My name is Brandon and I am working with Dr. Salvador Barraza-Lopez, and we are wanting to compile the new beta release of SIESTA, version 4.1 b4, with the PEXSI library, on the Theta supercomputer at the Argonne National Lab. I am a new graduate student, so I am not sure how to go about

[SIESTA-L] problem transiesta convergence for non-zero bias voltages

Dear Siesta users, We are trying to calculate the I-V characteristic of a hybrid structure. For zero bias voltage Transiesta converges very fast. But for other bias voltages it doesn't converge even after 1000 step. The fdf file is attached. I would be pleased if one could help us to solve the