[Pw_forum] Fermi level too large

2012-10-06 Thread Paolo Giannozzi
On Oct 6, 2012, at 12:53 , Sakhrawi Taoufek wrote: > E_F=14.88 eV (expected value must be between 1 and 5 eV) you haven't read the FAQ, have you? http://www.quantum-espresso.org/?page_id=364#6.9 P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208

[Pw_forum] Fermi level too large

2012-10-06 Thread Sakhrawi Taoufek
Objet?: Re: [Pw_forum] Fermi level too large the value of starting magnetization is used to brake the up/dw symmetry? in the charge density but the code then find a self-consistent solution so if there aren't many different minima the final value of the total magnetization should be indepe

[Pw_forum] Fermi level too large

2012-10-06 Thread Stefano de Gironcoli
the value of starting magnetization is used to brake the up/dw symmetry in the charge density but the code then find a self-consistent solution so if there aren't many different minima the final value of the total magnetization should be independent from it. the Fermi energy is what it has to b

[Pw_forum] Fermi level too large

2012-10-06 Thread Sakhrawi Taoufek
Dear all I try to do dos calculation for FeRh ferromagnetic. Itried with different values ??starting_magnetization to reach the expected value of total_magnetization, the problem is that when we get to do there is a value of the Fermi energy very large compared to the expected. Thinks --