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
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