Dear Quantum Espresso users, I have done the band structure calculations for Ag2Te material. I have got the perfect reproducibility for the material, however somehow the DOS is not in correspondence with the band structure. I feel the fault can be in the path chosen for the calculations, as there might be some states along a specific Kpoint in BZ which are missing in my band calculations path. I am getting one written statment in the bands.x output file as follows:
*xk=( 0.50590, 0.92760, 0.35267 )zone border point and non-symmorphic group symmetry decomposition not available* Is this is a serious warning or statement to taken into consideration ? I am not able to understand the physical sense of this and how it can affect the calculations. Any suggestions are welcomed. *Regards * *Neeta Bisht *
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