TranSIESTA School 2023

Technical University of Denmark, 13th - 17th November 2023

Topics covered (may be subject to changes):

It will cost ~200 EUR (1.500 DKK) to participate, paid in advance. This will cover lunches, coffee breaks and the conference dinner. One can sign up here.

Course material

The schools material is based on this repository.

Previous schools have lectures hosted here.

The lectures will be recorded and uploaded for future retrieval. All material will be released after the workshop has ended. It will be released here (link not working until after).

Tentative program

Monday 13th November
12:00-13:00 Registration + lunch (covered by fee)
13:00-14:00 Theory 1: Non-equilibrium Green function theory
14:00-15:00 Tutorial 1: Tight-binding and TBtrans [TB_1, TB_2, TB_3]
15:00-15:30 Break
15:30-17:00 Tutorial 1 continued
Tuesday 14th November
09:00-09:45 Shotgun presentations 1 min per participant (1 or 2 slides MAX)
09:45-10:15 Break, engage with peers
10:15-11:00 Theory 2: Non-equilibrium Green function theory
11:00-12:00 Tutorial 2+3: TranSIESTA calculations [TS_1, TS_2, optionally TS_3]
12:00-13:00 Lunch (covered by fee)
13:00-15:00 Tutorial 2+3: continued
15:00-15:30 Break
15:30-17:00 Tutorial 2+3: Tight-binding and TBtrans [TB_4, TB_5, optionally TB_9, A_1]
20:00 Conference dinner in Lyngby at Madklubben (covered by fee)
Wednesday 15th November
09:00-09:30 Theory 3: NEGF for N-electrode calculations
09:30-10:00 Tutorial 4: Tight-binding and TBtrans N-electrode [TB_6]
10:00-10:30 Tutorial 4: TranSIESTA calculations for N-electrodes [TS_4]
10:45-11:00 Break
11:00-12:00 Tutorial 4: TBtrans + TranSIESTA calculations [TB_7 (can be skipped if you want deeper understanding of the other exercises), optionally TS_5]
12:00-13:00 Lunch (covered by fee)
13:00-15:00 Theory 4 + Tutorial 5: Sofia Sanz (DTU)/Thomas Frederiksen (DiPC, Spain) Hubbard
15:00-15:30 Break
15:30-17:00 Tutorial 6: Real space self-energies [TB_8]
Thursday 16th November
09:00-10:00 Tutorial 7: DFT -> TB -> Large scale tight-binding Gaetano Calogero, CNR-IMM, Italy/Isaac Alcon, ICN2, Spain
10:00-10:30 Break
10:30-12:00 Tutorial 7: Continuation
12:00-13:00 Lunch (covered by fee)
13:00-15:00 Tutorial 8: Real space quantities (LDOS) and merging of Hamiltonians Xabier de Cerio, DiPC, Spain
15:00-15:30 Break
15:30-17:00 Tutorial 8: Continuation
Friday 17th November
09:00-10:00 To be determined
10:00-10:30 Break
10:30-12:00 Comments, remarks and wrap-up: Recap important points of calculation setups
12:00Lunch (covered by fee); and thank you and see you again


Registration has ended. The workshop is full.

Preparation training

Students may join the SIESTA school before this for better understanding and a greater in-depth knowlegde of the SIESTA method, see here for details.

Students are expected to have some experience with DFT codes and condensed matter physics at an introductory level.

Computer requirements

We expect students to come with their own laptops with a functional Linux or Mac operating system. Windows users may use WSL to get a Linux system.


If questions arise, please do not hesitate to bring them up on the sisl Discord channel. We encourage users to stay around the community at that channel.