Re: [QE-users] Choice of awin for average.x calculations

2022-01-21 Thread Lorenzo Paulatto
Hello, I do not have an answer to your question, I have never used average.x. However, when there is a parameter I need to choose, this is my procedure: identify a physical range of values try a few values in between compare to see if it makes any difference and if necessary: try to understand

[QE-users] Choice of awin for average.x calculations

2022-01-21 Thread Anson Thomas
Dear QE Users, I have a general (and maybe naive) question to ask. What value should we choose for awin for average.x calculations? Any insights on this would be appreciated. Thank you -- *Anson Thomas* M.Sc. Chemistry, IIT Roorkee ___ Quantum ESPRES