Thanks a lot, Dr Giovanni. I appreciate your response. We observed few values of frequencies to be negative. Matdyn1 has few more with others having either the first or the first 2/3 to be negative. We set those to be zero, modifying lambda.f90 code.
Could that be the problem? I've attached the input/output for lambda.x execution. Also matdyn1. There are 62-points and 33 irreps. I appreciate your time. -- Isaiah Abu Moses Graduate Student, Physics Department, University of Ibadan, Nigeria
CyanoPh_lambda.in
Description: Binary data
CyanoPh_lambda.out
Description: Binary data
matdyn1
Description: Binary data
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