Minnesota Supercomputing Institute
With regards to the safety measures put in place by the university to mitigate the risks of the COVID-19 virus, at this time all MSI systems will remain operational and can be accessed remotely as usual. The only planned outages concern our in-person Helpdesk and tutorials. More information, as well as alternative remote support options, can be found at MSI COVID-19 Continuity Plan
17-serial, 17-ompi, 17-mpp.test, 17-mpp, 14, 14-p, 14-mpp, 17-serial, 17-1.0.2-ompi.test, 17-ompi-2.1.0, 17-mpp.test, 17-ompi, 17-1.0.2-serial
Thursday, April 2, 2020
14, 14-p, 14-mpp, 17-serial, 17-1.0.2-ompi.test, 17-ompi-2.1.0, 17-mpp.test, 17-ompi, 17-1.0.2-serial
The CRYSTAL program computes the electronic structure of periodic systems within Hartree Fock, density functional or various hybrid approximations. The Bloch functions of the periodic systems are expanded as linear combinations of atom centred Gaussian functions. Powerful screening techniques are used to exploit real space locality. The code may be used to perform consistent studies of the physical, electronic and magnetic structure of molecules, polymers, surfaces and crystalline solids.