Error in routine pw_readschemafile (1): xml data file not found Arises while running band structure calculation This error occurs when bands.in file can not read some data from the nscf run. The files might not be in the correct directory and not have the same filename/prefix etc. Ref:
When I had started learning the basics behind Quantum Espresso, I had come across some very useful resources. Most of them are from Quantum Espresso Tutorial available on the Quantum espresso website and YouTube. For a beginner, I would like to recommend this amazing seminar by Astrid Marthinsen Here she has beautifully explained all the basics one needs to start working with Quantum Espresso. There are some GUIs available for Quantum Espresso in both windows & Ubuntu operating system 1. BURAI 2. PWgui If you are just starting to learn Quantum Espresso then as per my experience BURAI can be a good place to start because here you can get some simpler system with auto-generated input file to start with. So here you will not face any error due to directory or Pseudopotential etc (Unlike PWgui), which may be difficult to deal with initially so you can fully concentrate on learning the input file structure only. I had found t...
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