scnc
/
quantum-espresso
mirror of https://gitlab.com/QEF/q-e.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity
quantum-espresso/PP/simple_transport/examples/eg_fermi_int_1
History
burak deec543f65 Added examples 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11896 c92efa57-630b-4861-b058-cf58834340f0
 		2015-12-02 22:36:20 +00:00
..
reference Added examples 2015-12-02 22:36:20 +00:00
README Added examples 2015-12-02 22:36:20 +00:00
dop_vs_ef Added examples 2015-12-02 22:36:20 +00:00
run_1 Added examples 2015-12-02 22:36:20 +00:00

README 

# Files produced
# report_1  : Report about parallelization, timing and grid reduction
# Def_1     : Fermi integral I0 = \sum_{n,k} (-df/de_{nk}), related to screening parameter
# sig_1     : E_F, s11, s12, s13, s21, s22, s23, s31, s32, s33 (Fermi energy in eV and conductivity tensor in (Ohm cm)^{-1} 
# Se_1      : E_F, Se11, Se12, Se13, Se21, Se22, Se23, Se31, Se32, Se33 ( Fermi energy in eV and Seebeck tensor in V/K)

Notice that the effective grid size increases with increasing Ef.