Dear Wien2k users I am doing mBJ calculation for a ternary semiconductor. There are four options for different parametrization of mBJ:
0: Original..... 1: New parametrization (Koller......... 2: New parametrization for semiconductors ........ 3: Unmodified BJ potential (Backe.........) I got reasonable band gap using unmodified BJ potential, option 3, than other options. My query is that: Should I put unmodified BJ potential as mBJ potential in paper or write simply unmodified BJ potential without mentioning mBJ potential? regards *------------------------------------------------Dr. K. C. Bhamu(Dr. D. S. Kothari Postdoc Fellow)Thin Films & Membrane Science Lab.Department of PhysicsUniversity of Rajasthan, Jaipur, IndiaMob. No. +91-9782911977*
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