do you really need to print the eigenvalues with 10^-7 eV accuracy ?
stefano
On 29/01/2016 14:08, Małgorzata Wawrzyniak-Adamczewska wrote:
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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