Rome 2023: Difference between revisions
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== Access CINECA computational resources == | == Access CINECA computational resources == | ||
Yambo tutorials will be run on the MARCONI100 (M100) accelerated cluster. You can find info about M100 [https://wiki.u-gov.it/confluence/display/SCAIUS/UG3.2%3A+MARCONI100+UserGuide#UG3.2:MARCONI100UserGuide here]. | Yambo tutorials will be run on the MARCONI100 (M100) accelerated cluster. You can find info about M100 [https://wiki.u-gov.it/confluence/display/SCAIUS/UG3.2%3A+MARCONI100+UserGuide#UG3.2:MARCONI100UserGuide here]. | ||
Every Yambo run '''must''' start with this step. Go to the folder ''containing'' the hBN-bulk <code>SAVE</code> directory: | <!-- Every Yambo run '''must''' start with this step. Go to the folder ''containing'' the hBN-bulk <code>SAVE</code> directory: | ||
$ cd YAMBO_TUTORIALS/hBN/YAMBO | $ cd YAMBO_TUTORIALS/hBN/YAMBO | ||
$ ls | $ ls | ||
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it usually means you are trying to launch Yambo '''from the wrong place'''. | it usually means you are trying to launch Yambo '''from the wrong place'''. | ||
$ cd .. | $ cd .. | ||
--> | |||
== Tutorials == | == Tutorials == | ||
Revision as of 09:05, 17 May 2023
A general description of the goal(s) of the school can be found on the Yambo main website
Access CINECA computational resources
Yambo tutorials will be run on the MARCONI100 (M100) accelerated cluster. You can find info about M100 here.
Tutorials
DAY 1 - Monday, 22 May
16:15 - 18:30 From the DFT ground state to the complete setup of a Many Body calculation using Yambo
- First steps: Initialization and more
- Next steps: RPA calculations
- Band structures with yambopy: Tutorial 1 (BN)
- Band structures with yambopy: Tutorial 2 (Iron)
DAY 2 - Tuesday, 23 May
14:00 - 16:30 A tour through GW simulation in a complex material (from the blackboard to numerical computation: convergence, algorithms, parallel usage)
DAY 3 - Wednesday, 24 May
17:00 - 18:30 Real-time Bethe-Salpeter equation Fulvio Paleari (), Davide Sangalli (CNR-ISM, Italy)
- Linear response from real time simulations (extract from this the part with yambo_rt)
DAY 4 - Thursday, May 25
14:00 - 16:30 Real-time approach with the time dependent berry phase Myrta Gruning (), Davide Sangalli (CNR-ISM, Italy)
- Linear response from real time simulations (extract from this the part with yambo_nl)
- Non-linear response TD-HSEX: hBN (to be created, inputs from Ignacio)
- Real time approach to non-linear response (to decide if we do also AlAS part 1)
- Correlation effects in the non-linear response (to decide if we do also AlAS part 2)