[CP2K-user] SCF restart not working

[Hans Jakob]

Hi,

I try to restart from a previous run using SCF_GUESS restart to read in the 
previous wavefunction. While the 0th iteration look ok, save for the Fermi 
Energy, the 1st iteration fails 


 MO| EIGENVALUES AND OCCUPATION NUMBERS AFTER SCF STEP 0
 MO|
 MO|  Index      Eigenvalue [a.u.]        Eigenvalue [eV]            
 Occupation
 MO|   1140              -0.141271              -3.844188              
 2.000000
 MO|   1141              -0.207548              -5.647664              
 0.000000
 MO| Sum:                                                            
2280.000000
 MO| E(Fermi):            0.000000 a.u.          0.000000 eV
 MO| Band gap:           -0.066277 a.u.         -1.803476 eV



 SCF WAVEFUNCTION OPTIMIZATION

  Step     Update method      Time    Convergence         Total energy    
Change
  
------------------------------------------------------------------------------

 MO| EIGENVALUES AND OCCUPATION NUMBERS AFTER SCF STEP 0
 MO|
 MO|  Index      Eigenvalue [a.u.]        Eigenvalue [eV]            
 Occupation
 MO|   1140                    NaN                    NaN              
 2.000000
 MO|   1141                    NaN                    NaN              
 0.000000
 MO| Sum:                                                            
2280.000000
 MO| E(Fermi):                 NaN a.u.               NaN eV
 MO| Band gap:                 NaN a.u.               NaN eV

     1 P_Mix/Diag. 0.20E+00    6.1            NaN   -111237.5795000709 
-1.11E+05


Any idea whats going wrong here?
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