Preview

FPMD
- CP2K_input
  - basis
    - GTH_BASIS_SETS
      
      119.4 kB
    - POTENTIAL
      
      135.7 kB
    - dftd3.dat
      
      2.0 MB
  - guaiacol_ice.inp
    
    23.3 kB
  - guaiacol_water.inp
    
    10.1 kB
  - phenol_ice.inp
    
    23.2 kB
  - phenol_water.inp
    
    11.0 kB
- ice_slab.pdb
  
  58.3 kB
- workflow
  
  426 Bytes