[Pw_forum] PWSCF calculation for Nanostructures

sanjeev gupta sanjeev0302 at rediffmail.com
Wed Nov 12 17:31:13 CET 2008


  
Dear PWSCF users,

I am using Quantum espresso package for DFT calculation for noble nitride systems. My main interest in electron-phonon calculation and Raman tensor etc. Sir, I want to know, what will be change in SCF or NSCF file for nanostructures calculation? or where is difference in bulfk or nano? I want to do calculation on nanostructre?, what i do ?
Please help me .

Kind Regards
sanjeev gupta

S. K. Gupta
PhD Candidate,
Dept. of Physics,
Bhavnagar University.
Bhavnagar, 364 002., Gujarat.
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