[QE-users] problem in Raman tensor calculation

2020-08-30 Thread Ankita Singh Res. Scholar
i have run the calculation for Raman tensor and have obtained the output file as given below. But raman tensor given in this output file is not the same as we see in papers. so how to extract raman tensor for raman active modes from this output file. Program PHONON v.6.4.1 starts on 30Aug202

[QE-users] (no subject)

2019-06-11 Thread ANKITA SINGH Res. Scholar, School of Mat. Sci. & Tech. IIT (BHU)
I am performing CPMD in quantum espresso . But to see the output of my result, some of the tabs are not active like "Energy plot(evp), animation (pos),.". So please direct me for making these tabs active??? ___ Quantum ESPRESSO is supported by MaX (www.ma