I am using Quantum Espresso and i wish to analyze morphology study by simulation using DFT. so please suggest me that how can i calculate that ?
I suggest that http://www.quantumwise.com/, which is VNL gui and supported for QE for build structure and or plot band structure, density of state. Please looking at YOUTUBE for tutorial.
Hi, here tutorials of quantum espresso.
http://hjklol.mit.edu/article/quantum-espresso-tutorials
http://ocw.mit.edu/courses/materials-science-and-engineering/3-320-atomistic-computer-modeling-of-materials-sma-5107-spring-2005/labs/
Best regards!
An idea is VNL gui using for QE, which is for plot band and or dos.
What about your project which you want from QE ?
Can you explain in detail what morphology you want to study ? Suppose for surface morphology, basically you have to check for the surface energies and see whether the surface is stable or not. And for a particular reaction you can visualize whether the surface is suitable or not.
Dear Shashi Bhusan, please can u explain that how to check the surface energies. I mean if i will know the surface energy than we can find for the same. or is surface energy equal to morphology study of material ?
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