[CP2K-user] [CP2K:20864] Re: Request and Read wavefunction file

[Marcella Iannuzzi]

   Hi .....


   For DFT: 


   
   

   - FORCE_EVAL <https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL.html>/
   - DFT <https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT.html>/
   - SCF <https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/SCF.html>/
   - PRINT 
   <https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/SCF/PRINT.html>/
   - RESTART



   - FORCE_EVAL <https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL.html>/
   - DFT <https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT.html>/
   - SCF/*SCF_GUESS RESTART*


   -    Regards

Marcella

On Tuesday, November 5, 2024 at 6:19:31 PM UTC+1 ChStCo wrote:

> Hi, would anyone please so nice to let me know where I can find the 
> documentation on how to request the output of a wavefunction file and how 
> to read it into a new calculation. Best, Stevie

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