Did you call pp.x or dos.x? -------------------------------------------------- Duy Le PhD Student Department of Physics University of Central Florida.
"Men don't need hand to do things" On Sat, Apr 9, 2011 at 11:05 AM, r s <romeda_8 at yahoo.com> wrote: > Dear all, > i want to calculate density of state at fermi energy, > therefore i use pp.x code with following input file: > > &inputpp > prefix= 'ccb' > outdir= 'root/espresso-4.3/ccb/results', > plot_num= 3, > filplot= 'dos' > / > > but after running, get following text: > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > from local_dos : error # 1 > guassian broadening needed > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > why the guassian broadening?! > i use smearing= 'mp' in my calculations and don't want to use gaussian > broadening. > please guide me, > thanks, > > Regards, > -- > Romeda Azeen, > Bhavnagar University Bhavnagar 364002 Gujarat India > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110409/41dc7c43/attachment.htm
