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<P><FONT SIZE=2>Hi all,<BR>
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I am doing some scf calculations in quantum espresso, actually what I want to know is about k-points . I mean when we are doing calculations for a crystal, can we use k point crystal instead of k point automatic? As from the manual of Quantum espresso, what I found is that k point crystal reads the <BR>
k points in crystal coordinates, i.e in relative coordiantes of the reciprocal lattice lattice vectors while k point automatic generates list of k points. I could not follow this difference properly, can anyone please help me .<BR>
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Thanks<BR>
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Dimpy</FONT>
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