Let E_Fermi be the Fermi energy found in case.scf2 and let E_rubbish be the
shift you want to apply
IF (E > E_Fermi) E = E + E_rubbish
or
IF ( E - E_Fermi > 0.0) E = E + E_rubbish
This or something similar can usually be done with every plotting program
Ciao
Gerhard
DEEP THOUGHT in D.
Dear all,
I have a simple question about applying the SCISSORS operation to the
density of states (DOS). I have calculated the density of states for
relatively simple Mg-silicates in crystalline phases. After that I tried to
find a way to apply the SCISSORS operation to the calculated DOS, i.e.
Dear All
I did the calculations for a compound by using GGA+U. The calculations are
well converged. But when i started calculating the properties, I found the
band structure empty for both up and down states.
For the band structure I give the following commands
x lapw1 -orb -up
x lapw1 -orb -dn
x
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