CRYSTAL14: A program for the ab initio investigation of crystalline solids
The capabilities of the CRYSTAL14 program are presented, and the improvements made with respect to the previous CRYSTAL09 version discussed. CRYSTAL14 is an ab initio code that uses a Gaussian-type basis set: both pseudopotential and all-electron strategies are permitted; the latter is not much more...
| Main Authors: | , , , , , , , , , , , , , |
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| Format: | Journal Article |
| Published: |
John Wiley & Sons Inc
2014
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| Online Access: | http://hdl.handle.net/20.500.11937/37917 |