I have successfully run a stability analysis (escf followed by dscf), with the following specifications in the control file.
$scfinstab triple
$soes all 1
$rpacor 1600
$start vector generation
The start vectors (alpha and beta) were also generated successfully. However, when trying to use these vectors (dscf) I get the following error message.
reading orbital data $uhfmo_alpha from file alpha .
wrong number of saos specified in line :
1 a eigenvalue=0.16329429152464D+01 nsaos=426
reading orbital data $uhfmo_beta from file beta .
wrong number of saos specified in line :
1 a eigenvalue=0.16329429152464D+01 nsaos=426
If I redo the whole setup (for an UHF calculation) manually (eht during define), I get nsaos=456. Nevertheless, this is misleading since I drop into the "wrong" minimum.
Is there something wrong with the start vector generation (in connection with the stability analysis)? Or, am I doing something wrong? Any suggestions how to solve this problem?
