[Pw_forum] saw tooth potential
jaretqi at yahoo.com
Thu Jan 14 07:13:54 CET 2016
Hello QE users,I am trying to apply a saw tooth potential on an interface. I have included enough vacuum, my original system extended from z=0 to z=7.7 in alat units. With vacuum, I have the z-direction now from z=0 to z=15.6 in alat units. Now I need to add the E-field, so people advised to have the system lies between (emaxpos+eopreg-1) and (emaxpos+eopreg), my values are : emaxpos = 0.9 eopreg = 0.1which means my system will be lying between 0.0x(z=15.6) and 1.0x(z=15.6) thats between 0 and 15.6 in alat units. Is this correct?
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