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               We are exploring the properties of scientifically and technologically important materials using accurate density functional calculations. Our band structure calculations are supplementary and complementary to the experimental activities going on in our department.

           The properties we study are...

Structural stability  Structural Stability
Chemical bonding  Chemical Bonding
High Pressure  High Pressure studies
Elastic Properties  Elastic properties
Plastic Properties  Plasticproperties
Magnetic Properties  Magnetic properties
Magneto anisotropy  Magneto Anisotropy
Magento-optical  Magneto-Optical properties
Optical Properties  Optical properties
Phonon and Raman  Phonons and Raman Spectra
Excited state properties  Other excited state properties
Hydrides  Hydrogen in intermetallics
Charge, spin and orbital ordering  Spin, charge and orbital ordering
Superconductivity  Superconductivity
Transport properties  Transport properties
Noncollinear Magnetism  others ...