Finding the Muon Stopping Site using PyMuonSuite Version 1
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Run on usegalaxy.euFinding potential muon stopping sites in crystalline copper
Inputs
| ID | Name | Description | Type |
|---|---|---|---|
| Copper-out.cell | Copper-out.cell | CASTEP structural file for the relaxed host material |
|
| Copper.castep | Copper.castep | main CASTEP output file |
|
| Copper.den_fmt | Copper.den_fmt | CASTEP charge density file |
|
Steps
| ID | Name | Description |
|---|---|---|
| 3 | PyMuonSuite AIRSS UEP Optimise | Galaxy tool used to: load the CASTEP files; complete the Generation parameters to set up the creation of randomly populated muonated structures; and complete the Optimisation parameters to set up the relaxation the electrostatic forces of the muon in each of the randomly populated muonated structures. toolshed.g2.bx.psu.edu/repos/muon-spectroscopy-computational-project/pm_uep_opt/pm_uep_opt/0.3.0+galaxy1 |
| 4 | PyMuonSuite AIRSS Cluster | toolshed.g2.bx.psu.edu/repos/muon-spectroscopy-computational-project/pm_muairss_read/pm_muairss_read/0.3.0+galaxy0 |
Outputs
| ID | Name | Description | Type |
|---|---|---|---|
| All muons in host material | All muons in host material | n/a |
|
Version History
Version 1 (earliest) Created 15th Feb 2024 at 11:52 by Paul De Geest
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Created: 15th Feb 2024 at 11:52
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