DYNMATFULL: Difference between revisions

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This file contains the eigenvalues, eigenvectors of the Hessian matrix, initial positions and atomic information of the system.  
This file contains the eigenvalues, eigenvectors from the diagonalization of the dynamic matrix. Initial positions and atomic information of the system are also stored in this file.
 
This file is only set if {{TAG|PHON_NSTRUCT}}<0 is set.  


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[[Category:Files]][[Category:Input Files]][[Category:Output Files]]
[[Category:Files]][[Category:Input files]][[Category:Output files]]

Latest revision as of 08:55, 6 April 2022

This file contains the eigenvalues, eigenvectors from the diagonalization of the dynamic matrix. Initial positions and atomic information of the system are also stored in this file.

This file is only set if PHON_NSTRUCT<0 is set.