I want to ask for questions. Could you make clear some error information
thereinafter and help me resolve my problem?
I am desirous to calculate POM for BSSE, Symmetry is C(I).I have made some
changes, but there is error information. I excerpt five pieces of important
1,"WARNING: the symmetry specified in input (C (I) ) is not the full symmetry
(NOSYM ).ADF will NOT adapt the orientation of the molecule. If this leads to an
error you should specify the coordinates in CARTESIANS (or ZCART) with a suitable
2,"ERROR : Atomic Coordinates do not satisfy Symmetry (maybe due to
3,"This error may have been caused by an inadequate orientation of the
molecule. As the specified symmetry does not equal the true symmetry of the
nuclear frame (+any fields) the program has NOT taken care of any
4,"ADF EXIT called NO TRANSFORMATION FOUND ";
5,"(KFERR) kfopvr: Attempt to open unknown variable :electrons".
Received on 2003-09-03 03:18:22
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