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Castep deltascf molpdos

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Maurer group documentation

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Maurer group documentation
Experimental Techniques in Surface Science
Group Responsibilities
Induction for new group members (Vienna)
Induction for new group members (Warwick)
Lab Handbook
Recommended reading
Useful software & group licenses
Coding
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Complex workflows
Complex workflows
- Ml gas surface dynamics
Electronic structure
Electronic structure
- Cc4S
- Embedding Integral Generator
- ASE
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- CASTEP XPS and NEXAFS Tutorial
- CASTEP
- Castep deltascf molpdos Castep deltascf molpdos
  Table of contents
  - How to perform DeltaSCF, linear expansion DeltaSCF, and MOpDOS calculations with CASTEP
- FHI-aims ΔSCF Tutorial
- FHI-aims
- GPAW
- ORCA
- TURBOMOLE
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Hpc warwick
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Table of contents

How to perform DeltaSCF, linear expansion DeltaSCF, and MOpDOS calculations with CASTEP

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September 19, 2023 September 19, 2023

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