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by chandan.singh
Tue Nov 21, 2017 11:33 am
Forum: General discussion
Topic: Problem with imaginary modes and anharmonic contribution
Replies: 1
Views: 3840

Problem with imaginary modes and anharmonic contribution

Hi everyone I am doing el-ph coupling calculation for Bi-based layered material using EPW. In phonon-dispersion, there are four imaginary frequencies around M point (pi,pi,0) that is related to charge density wave instability of material. For these modes, I am getting high el-ph coupling. My ...