[Pw_forum] Sawlike potential - clarification
konstantin_kudin at yahoo.com
Tue Aug 31 04:01:10 CEST 2004
"INPUT_PW" says the following on adding sawlike potential:
"emaxpos REAL ( default = 0.5D0 )
Position of the maximum of the sawlike potential within
unit cell ( 0 < emaxpos < 1 )
eopreg REAL( default = 0.1D0 )
Part of the unit cell where the sawlike potential
( 0 < eopreg < 1 )
eamp REAL ( default = 0.001 a.u. )
Amplitude of the electric field (in a.u.)
( 1 a.u. = 51.44 10^10 V/m )"
What does "Part of the unit cell where the sawlike potential
decreases" really mean? Is that where the sawlike potential is at its
Also, are there any drawbacks in using a highly asymmetric saw tooth?
For example, is it a good idea to have a narrow region where the
potential drops from highest to lowest, and then a wide region where it
If asymmetric saw tooth is OK, then what does "eamp" set? Is it the
field in the longer part of the tooth, or in the shorter one?
Thanks in advance!
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