[QE-users] pw or cp? - structure optimization

pmoreira at ifi.unicamp.br pmoreira at ifi.unicamp.br
Tue Nov 20 12:13:38 CET 2018


  Dear users,

  I need to do a structure optimization. I see one can do it with QE  
using PW or CP packages. At least, both have command options to  
optimize a structure. Which package is the best alternative? Could you  
provide reference for the method (documentation)?

  Thanks in advance,

  Pedro Moreira
  Assistant Professor
  UFSCar, Brazil




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