Hi,
I have tried to perform a GW calculation for a transition metal complex using the gw and rigw features. However, whenever I attempted to apply a symmetry to the molecule, I received the following error message, regardless of the applied point group. (every symmetry fails besides c1)
--------------------------------------------------
---------------- full GW response ----------------
--------------------------------------------------
starting diagonalization of block: ag using method 2 (1=QR,2=D&C)
starting diagonalization of block: b1g using method 2 (1=QR,2=D&C)
starting diagonalization of block: b2g using method 2 (1=QR,2=D&C)
starting diagonalization of block: b3g using method 2 (1=QR,2=D&C)
starting diagonalization of block: au using method 2 (1=QR,2=D&C)
starting diagonalization of block: b1u using method 2 (1=QR,2=D&C)
starting diagonalization of block: b2u using method 2 (1=QR,2=D&C)
starting diagonalization of block: b3u using method 2 (1=QR,2=D&C)
inconsistency in modtrace:
module gw_n6engine_sym exits but current
module is gw_n6engine
========================
internal module stack:
------------------------
escf
escfgwsetup
gw_n6engine
========================
modtrace: inconsistency
escf ended abnormally
This example is done with d2h symmetry.
Has anyone ever seen this error message? Am I doing something wrong? What should I do to solve this problem?
Regards,
Florian
