Crystal14 manual

crystal packagesolid state simulation software
crystal17 installation
crystal17 tutorial
crysplot
crystal basis sets
crystal 16 user manual

Download CRYSTAL17 User's Manual (pdf format). CRYSTAL User's Manuals for previous versions of the code are also available: CRYSTAL14, CRYSTAL09, CRYSTAL06 and Noel, Y.: CRYSTAL14 User's Manual University of Torino, Torino (2014) Dovesi, R., Orlando, R., Erba, A., Zicovich-Wilson, C.M., Civalleri, B., Casassa,See the official CRYSTAL manual for more details. Exchange-correlation functionals¶. The xc parameter is used to define the method used for the calculation. This is a wiki that we will use for putting all the manuals and updates on the software we Manual: crystal.unito.it/Manuals/crystal14.pdf. Refer to "CRYSTAL17 User's Manual" for detailed information. Background requirements: basic concepts of crystallography: direct lattice, reciprocal lattice, F. Pascale, B. Civalleri, K. Doll, N.M. Harrison, I.J. Bush, Ph. D'Arco, M. Llunell, M. Causa, Y. Noel, Crystal14. CRYSTAL14 User's Manual, University