[QE-users] liquid water AIMD simulation using SCAN

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Hello, 
 
I'd like to perform liquid water AIMD simulation using SCAN. 
 
1. I have used QE for several works but not familiar to the use of SCAN functional yet.  
May I ask your guide on basic QE input for water AIMD simulation (64 waters) based on SCAN? 
 
2. In fact, I'd like to evaluate the IR spectrum of liquid water using the result of the AIMD simulation. 
The paper of "First-principles study of the infrared spectrum in liquid water from a systematically improved description of H-bond network" Phys. Rev. B 99, 205123 (2019) (https://doi.org/10.1103/PhysRevB.99.205123) deals this analysis but the method of it is not clear to me. 
Would you let me know how I can obtain IR spectrum of liquid water from the output of QE AIMD simulation in detail? 
 
Any advice and support on this issue would be welcome. 
 
Best regards, 
  Young 


   
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