[QE-users] Inverse of S operation
John McFarland
jm18ec at my.fsu.edu
Sat Jul 13 19:00:39 CEST 2019
Dear all,
ESPRESSO has a subroutine calles s_psi() that applies the S matrix to the wavefunction. Is there a way to apply the inverse of S to the wavefunction?
Also, is S constant throught the SCF iterations?
Thanks in advance for any replies.
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