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<span style="color: rgb(77, 77, 77); font-family: Arial, Helvetica, sans-serif; font-size: 14px;">Hello QE world,</span><br>
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<span style="margin:0px;color:rgb(77, 77, 77);font-family:Arial, Helvetica, sans-serif;font-size:14px;text-align:left;background-color:rgb(255, 255, 255)">I have a very general question about Raman calculations (I will include that I am using QE version 6.4.1
per the posting guidelines in case that helps my answer my question). </span></div>
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<span style="margin:0px;color:rgb(77, 77, 77);font-family:Arial, Helvetica, sans-serif;font-size:14px;text-align:left;background-color:rgb(255, 255, 255)">Background: I am calculating Raman shifts in strained 2D MoS2 polymorphs. </span></div>
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<span style="margin:0px;color:rgb(77, 77, 77);font-family:Arial, Helvetica, sans-serif;font-size:14px;text-align:left;background-color:rgb(255, 255, 255)">It was mentioned to me to by a non-QE user (but a computational chemist) that adding a correction for
anharmonicity is sometimes done for Raman calculations, at least in other software packages. Having read "QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials", I understood that anharmonicity is taken into account
with the inclusion of second and third order energy derivatives. Am I understanding this correctly? If I am, I would conclude that the suggestion made to me (referenced above) would be moot.</span></div>
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<span style="margin:0px;color:rgb(77, 77, 77);font-family:Arial, Helvetica, sans-serif;font-size:14px;text-align:left;background-color:rgb(255, 255, 255)">If I am misunderstanding, are there post-processing procedures I should include?</span></div>
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<span style="margin:0px;color:rgb(77, 77, 77);font-family:Arial, Helvetica, sans-serif;font-size:14px;text-align:left;background-color:rgb(255, 255, 255)">(This is my first time posting. I believe I have adhered sufficiently to the posting guidelines, but apologies
in advance if I missed something.)</span></div>
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<span style="margin:0px;color:rgb(77, 77, 77);font-family:Arial, Helvetica, sans-serif;font-size:14px;text-align:left;background-color:rgb(255, 255, 255)">thank you,</span></div>
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<span style="color: rgb(77, 77, 77); font-family: Arial, Helvetica, sans-serif; font-size: 14px;">Jessica Johnson</span></div>
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<span style="margin:0px;color:rgb(77, 77, 77);font-family:Arial, Helvetica, sans-serif;font-size:14px;text-align:left;background-color:rgb(255, 255, 255)">Graduate Research Assistant</span></div>
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<span style="margin:0px;color:rgb(77, 77, 77);font-family:Arial, Helvetica, sans-serif;font-size:14px;text-align:left;background-color:rgb(255, 255, 255)">Materials Science and Engineering Department</span></div>
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<span style="margin:0px;color:rgb(77, 77, 77);font-family:Arial, Helvetica, sans-serif;font-size:14px;text-align:left;background-color:rgb(255, 255, 255)">Rutgers University, New Brunswick</span></div>
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