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I have done the calculations using a K_PONTS automatic<BR> 20 20 1 0 0 0 <BR>for the scf calculation and a K_POINTS automatic<BR> 64 64 1 0 0 0<BR>and I got almost the right DOS but only for -ve values of energy. Nothing was produced for the +ve part. Is it because I need to include more points? like trying the 128 128 1 0 0 0 grid? N.B: I did specify that Emin=-7 and Emax=7 in the inout pp file..<BR> <BR> <BR>Regards<BR> <BR>ELie Mouhaes<BR>University of Nottingham<BR>NG7 2RD<BR>Nottingham<BR>UK<BR> <br /><hr />Do you have a story that started on Hotmail? <a href='http://clk.atdmt.com/UKM/go/195013117/direct/01/' target='_new'>Tell us now</a></body>
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