Did you call pp.x or dos.x?<br clear="all">--------------------------------------------------<br>Duy Le<br>PhD Student<br>Department of Physics<br>University of Central Florida.<br><br>"Men don't need hand to do things"<br>
<br><br><div class="gmail_quote">On Sat, Apr 9, 2011 at 11:05 AM, r s <span dir="ltr"><<a href="mailto:romeda_8@yahoo.com">romeda_8@yahoo.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
<table cellspacing="0" cellpadding="0" border="0"><tbody><tr><td valign="top" style="font:inherit"><div>Dear all,<br>i want to calculate density of state at fermi energy,<br>therefore i use pp.x code with following input file:</div>
<div> </div>
<div>&inputpp<br> prefix= 'ccb'<br> outdir= 'root/espresso-4.3/ccb/results',<br> plot_num= 3, <br> filplot= 'dos'<br>/</div>
<div> </div>
<div>but after running, get following text:</div>
<div>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>from local_dos : error # 1<br>guassian broadening needed<br>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div>
<div> </div>
<div>why the guassian broadening?!<br>i use smearing= 'mp' in my calculations and don't want to use gaussian broadening. <br>please guide me, <br>thanks,</div>
<div><br>Regards,<br>--<br>Romeda Azeen,<br>Bhavnagar University Bhavnagar 364002 Gujarat India</div></td></tr></tbody></table><br>
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<br></blockquote></div><br>