<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><SPAN lang=EN>
<DIV>Dear all,</DIV>
<DIV>I am trying to calculate the DOS for hexagonal Ge2Sb2Te5 (GST). When I do a nscf calculation, it crashes and I get the following error message:</DIV>
<DIV> </DIV>
<DIV>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</DIV>
<DIV>task # 1</DIV>
<DIV>from read_rho_xml : error # 1</DIV>
<DIV>dimensions do not match</DIV>
<DIV>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</DIV>
<DIV> </DIV>
<DIV>The input file (script) is attached. Where could the problem be? Please help.</DIV>
<DIV> </DIV>
<DIV>Yours,</DIV>
<DIV>Henry</DIV></SPAN></td></tr></table>