Scriptts and ToolsHow to do Convergence Tests of KPOINTS parameter using the PWTK package
Scriptts and ToolsHow to do Convergence Tests of ECUTOFF parameter using the PWTK package
Atomic and Molecular CalculationsHow to calculate the Binding Energy of a diatomic molecule
Atomic and Molecular CalculationsHow to calculate the Equilibrium Structure of a diatomic molecule
Electronic CalculationsHow to calculate the Fermi Surface
Electronic CalculationsHow to calculate the Total DOS of Graphene
Electronic CalculationsHow to calculate the Band Structure of Graphene
PsudopotentialsAn online application to look for the pseudopotential
Scriptts and ToolsHow to do the lattice parameter optimization using the PWTK package
- Scriptts and Tools
How to do Convergence Tests of KPOINTS parameter using the PWTK package
- Scriptts and Tools
How to do Convergence Tests of ECUTOFF parameter using the PWTK package
- Atomic and Molecular Calculations
How to calculate the Binding Energy of a diatomic molecule
- Atomic and Molecular Calculations
How to calculate the Equilibrium Structure of a diatomic molecule
My name is Dr Abderrahmane Reggad. I'm a 54 year old and I am a researcher in materials' sciences.
Learn More →
![BURAI 1.2 – a GUI for Quantum Espresso – [TUTORIAL]](https://lh3.googleusercontent.com/blogger_img_proxy/AEn0k_v6YPMuHAUP3PYUdmqugGnoROmQ4tDwW_ERYAVNVEylOftFwpj1QfG6bcxTtfrXwjPwaPSWf3mPeCLOYaZBIe1U0ZzL_EJRiJuBtQIJmgGQQU9WLb7CxJaNBU17ecwqjsUCHw42gRcV10mO6HZh_iPFQt_iC3M9Db9I3ZCedvPzv8ysGTD8=w100)
![SPIN POLARISED (MAGNETIC MOMENT) CALCULATION using Quantum Espresso and BURAI [TUTORIAL]](https://img.youtube.com/vi/VmsDUDQTzhE/hqdefault.jpg)
0 Comments