I believe you can just increase mxrectr in common/cpar (first problem) and mxstsy in common/cstate (2nd problem) and recompile. Our local version has these set to 20 and 16, respectively.
-Kirk
On May 12, 2004, at 9:46 AM, Dr. Ramon Hernandez Lamoneda wrote:
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
