FPLMTOFull-Potential Linearized Muffin-Tin Orbital (Method)
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In this work, self-consistent full potential linear muffin tin orbital method (FPLMTO) is employed to study the effect of pressure [9].
The electronic band structure and density of states calculations were performed for AlN corresponding to different reduced volumes in ZnS, NaCl and CsCl structures, by the first-principle FPLMTO method with in generalized gradient approximation (GGA).