Dear professor, We are doing the example running in the user guide through GUI, and everything is all right. However I have a question about the calculation sequence. For a specific calculation, if I do not do the Mini for atom positions and volume optimizations for the unit cell, does that mean the unit cell parameters a, b, c,etc and the position of atoms will never change even after the scf running and properties calculation?
Best regards, -- Minghao, Zhang, Graduate Student. Department of NanoEngineering University of California, San Diego SME Building, room 242C 9500 Gilman Drive La Jolla, CA 92093 Cell: 858-956-9058 e-mail: miz...@eng.ucsd.edu <kjcarr...@ucsd.edu> Group website: http://ne.ucsd.edu/smeng/
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