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From: wien-boun...@zeus.theochem.tuwien.ac.at
[mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of Gerhard Fecher
Sent: Tuesday, November 02, 2010 1:32 PM
To: A Mailing list for WIEN2k users
Subject: Re: [Wien] initso in w2web and ABBRUCH: DIE EFG-MATRIX IST DIE
NULLMATRIX !
Dear Peter
SO may change the symmetry and then introduce an LM list with L=2 (which
produces EFGs).
(It could even change the number of atoms,.)
If you had inversion symmetry (no L=2 LM in case.in2), initso
will produce a case.in2c with L=2 in the list, but it does NOT touch case.in2
(which therefore
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