[Pw_forum] accuracy of the energies printed to file

Małgorzata Wawrzyniak-Adamczewska mwaw at amu.edu.pl
Fri Jan 29 14:08:43 CET 2016


 

Dear QE users and developers, 

I was wondering if there is a possibility to increase 

the accuracy of the energies printed in the e.g. scf.out file or
bands.out file? 

I find the accuracy of D^-4: 

-------------------------------------------------------------------------------------------------------


 k = 0.0000 0.0000 0.0000 ( 2289 PWs) bands (ev):

 -21.2789 -21.2789 -9.3618 -9.3618 -4.7450 -4.7450 -4.7357 -4.7357
 1.2876 1.2876 2.0573 2.0573 2.2604 2.2604 4.3273 4.3273
 4.9921 4.9921 6.6656 6.6656 6.6734 6.6734 8.2476 8.2476
 9.4082 9.4082 9.8358 9.8358 10.9914 10.9914 13.5952 13.5952

-----------------------------------------------------------------------------------------------------


and would like to increase it to D^-7. 

Thank you in advance, 

Malgorzata Wawrzyniak 

 
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