Following file types are recognized:

• fhi,fly,gau,lam,mop,mpr,tin,vas – FHI-aims, GAMESS Firefly, Gaussian, LAMMPS, MOPAC, Molpro, TINKER or VASP input file
• out – (text) program-specific output file
• xyz,cif – (text) atomic coordinates
• coo – (binary) atomic coordinates ::Matrix(3,na)
• md – (binary) MD trajectory or set of configurations ::Array(3,na,nconf)
• mdm – (binary) same as 'md' but grouped into molecules ::Array(3,na,nm,nconf)
• mgf – (text) file containing MO/NO/NTO for visualization
• pes – (binary) potential energy surface data
• frcc – (binary) force constants ::Matrix(3*na,symmetric)
• evl,evla,evlb – (binary) eigenvalues, alpha- and beta-eigenvalues ::Vector(no)
• evc,evca,evcb – (binary) eigenvectors ::Matrix(N,no)
• evr – (binary) bra-eigenvectors = Transpose(evc)*s1e ::Matrix(no,N)
• s1e – (binary) overlap matrix ::Matrix(N,symmetric)
• h1e – (binary) one-electron Hamiltonian ::Matrix(N,symmetric)
• rho,rhoa,rhob – (binary) density matrix ::Matrix(N,symmetric)
• 633 – (binary) Gaussian record 633

See also binary file format; symmetric matrices are written as triangular[lower].