Hello!
    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
information:
    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
orientation.";
    2,"ERROR : Atomic Coordinates do not satisfy Symmetry (maybe due to
orientation)";
    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
symmetry-required orientation.";
    4,"ADF EXIT called NO TRANSFORMATION FOUND ";
    5,"(KFERR) kfopvr: Attempt to open unknown variable :electrons".
    Thank you!
 
Received on 2003-09-03 03:18:22