Prof. Peter Blaha and Dr. Martin Pieper, Thank you very much for your reply and kind suggestion.
with warm regards Sandeep Kumar -- Dr. Sandeep Kumar, Post-doc Department of Chemistry, The Lise Meitner-Minerva Center for Computational Quantum Chemistry & The Institute for Nanotechnology and Advanced Materials, Bar-Ilan University, Ramat-Gan 52900, Israel
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