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5:14 AM
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Q: Is it possible to calculate non-resonant Raman coefficient for systems that require smearing to converge?

Ashique LalIn Quantum espresso turning lraman to true in the ph.x input is not possible if the material is made to converge using smearing. Is there any way to circumvent this, as my material isn't a metallic a system, and increasing the ecutwfc , ecutrho or k-pioints doesnt help ?

 

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