[molpro-user] limits on the number of records
Dr. Ramon Hernandez Lamoneda
ramon at servm.fc.uaem.mx
Wed May 12 17:46:37 BST 2004
Hi,
I am doing some spin-orbit calculations and I find
that in the input line:
hlsmat,ecp,record1,record2, ....
there seems to be a limit of 10 possible records(if
I give more the records above 10 get overwritten in
the first records as shown in the output). Different
records are required for the different spin and spatial
symmetries of the ci vectors so it seems to me that 10
records would be a big limitation for many calculations ...
Is this a real limitation or am I missing something ?
I found a similar 'symmetry related' limitation when doing
state-average calculations with Multi and again one cannot
average more than 10 states of different spin-spatial
symmetries .....
Are these limitations indicated anywhere in the manual ?
Thank you for your time
Ramon
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