[QE-users] Error when using "restart_mode = 'restart' "

jkmodi22 at iitk.ac.in jkmodi22 at iitk.ac.in
Sun Jan 19 08:42:50 CET 2025


Hello QE experts

I was doing bandstructure calculation using HSE. My calculation stopped
due to time limit. Then, I tried to resart the calculation using
restart_mode='restart' in control namelist.

I got the following error :
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine aceinit0 (1):
     file with ACE potential not found or not readable
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

How to use the keyword restart_mode? Why did this error occur?

Thanks in advance.

Best regards

Jainandan Modi
Ph.D. Scholar
Electrical Department
IIT Kanpur



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