<div dir="ltr"><div><div>I would appreciate if anybody will help me with the following problem.<br>----------------------------------------------------------------------------------------------<br> ITER. MIC  NCI  NEG     ENERGY(VAR)     ENERGY(PROJ)   ENERGY CHANGE     GRAD(0)  GRAD(ORB)   GRAD(CI)     STEP       TIME<br>
<br> NOT ENOUGH SYMMETRY ADAPTED P-SPACE CONFIGURATIONS FOUND. LAST TRESHOLD TRIED:    4.20<br><br> Eigenvalues of symmetry matrix<br>-------------------------------------------------------------------------------------------------<br>
<br>I tried with different possibility but getting the same thing.My input section is like following<br><br>------------------------------------------------------------------------------<br>basis=tzvpp;<br><br>rhf;<br><br>
{multi;occ,23,18,22,17,10,8,10,7;closed,18,16,20,14,7,5,7,5;<br>pspace,3.;wf,42,1,0;state,1;wf,42,6,0;state,1}<br>-------------------------------------------------------------------------------<br><br></div>Thanks in advance.<br>
<br></div>Rameswar<br clear="all"><div><div><div><br>-- <br><div dir="ltr"><div><font face="times new roman, new york, times, serif" size="4">---------------------------------------------------------------------------------------------</font><b><font face="times new roman, new york, times, serif" size="4"><br>
"The man who makes no
 mistakes does not usually make anything."</font></b></div><div><b><font face="times new
 roman, new york, times, serif" size="4">                                 
 Edward John Phelps (1822-1900)</font></b></div><div><font face="times new roman, new
 york, times, serif" size="4">---------------------------------------------------------------------------------------------<br><br>Rameswar Bhattacharjee<br>Junior Research Fellow<br>Dept. of Spectroscopy<br>Indian Association for the Cultivation of Science<br>
Jadavpur, Kolkata-32<br><br>
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