Example: TD-CDFT for bulk diamond (OldResponse)¶

#! /bin/sh

# Response calculation for diamond

$AMSBIN/ams <<eor

Task SinglePoint

System
   LATTICE
      0      1.785  1.785
      1.785  0      1.785
      1.785  1.785  0
   END
   ATOMS
      C  0.0   0.0   0.0
      C  0.8925  0.8925  0.8925
   END
End

Engine Band
   TITLE DIAMOND 

   Integration
      Accint 5
   End

   KSPACE 
      Symmetric KInteg=2
   End

   Dependency  Basis=1.e-6

   OLDRESPONSE
      Enabled  True
      nfreq    7
      strtfr   0.0
      endfr    19.0480
   END
   
   Basis
      Type DZ
   End
EndEngine

eor