non-Hermitian operators

Samuel Andermatt samuel.a... at student.ethz.ch
Mon May 23 14:28:27 UTC 2016


It would definitely require some implementation to enable such a thing, 
currently such a thing is not implemented. The Hamiltonian is currently 
stored as a hermitian matrix. In the rt-TDDFT part of cp2k the matrices are 
usually desymmetrized, so it should be possible to add this potential 
there. I am working with the rt-TDDFT part of CP2K, in case you have 
questions regarding the implementation I will gladly help you.
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