Dear all,
I am currency using ncsf calculation to produce band dispersion. I need to generate high precision eigenvalues, e.g. as small as 0.01 meV. I managed to increase the number of decimal digits shown after the decimal point in the standard output by modifying subroutine *print_ks_energies.f90* in QE version 6.5 (format 9030 from 8F9.4 to 8F9.5). My question is, how far can I go for increasing the number of decimal digits shown in the output, and what parameter dictates the precision of eigenvalues? Kind regards, -- Z. Khatibi Postdoctoral fellow School of Physics Trinity College Dublin
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
