Dear all,
I am encountering an error just after finishing the Wannierization step, running by EPW-6.1 and Hubbard U is included in the calculation. Error is pasted here for your reference:
[Calculating kgmap
Progress kgmap: ########################################
kmaps : 2.87s CPU 2.96s WALL ( 1 calls)
Symmetries of Bravais lattice: 48
Symmetries of crystal: 48
===================================================================
irreducible q point # 1
===================================================================
Symmetries of small group of q: 48
in addition sym. q -> -q+G:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine readdnsbare (92):
dnsbare file not found
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%]
I have located the 'dnsbare' file in the directory '\save' from the directory '\out' also but still getting the same error. Would you please take a look at this error and resolve it as your earliest convenience.
Thanks.
Regards,
Akshay Kumar Majee
NISER Bhubaneswar, India
Error in routine readdnsbare
Moderator: stiwari
Re: Error in routine readdnsbare
Hi,
Did you use the pp.py file inside the EPW/bin folder? That should have transferred the dnsbare. Can you attach your input files so that we can reproduce this error?
Best,
Sabya.
Did you use the pp.py file inside the EPW/bin folder? That should have transferred the dnsbare. Can you attach your input files so that we can reproduce this error?
Best,
Sabya.