「$negfpoissonselfconsistent」:修訂間差異
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無編輯摘要 |
無編輯摘要 |
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| 第2行: | 第2行: | ||
$negfpoissonselfconsistent | $negfpoissonselfconsistent | ||
self- | self-consistent_iteration_steps | ||
charge_replace_initial(cri) charge_replace_final(crf) | charge_replace_initial(cri) charge_replace_final(crf) | ||
Note: The charge density in Poisson solver will be replaced by the charge density given by NEGF in the range from cri to crf. | Note: The charge density in Poisson solver will be replaced by the charge density given by NEGF in the range from cri to crf. | ||
於 2018年7月30日 (一) 03:02 的修訂
$negfpoissonselfconsistent is the command to setup the max number of iterations and the region where we substitute the charge density generated by NEGF solver into Poisson equation.
$negfpoissonselfconsistent self-consistent_iteration_steps charge_replace_initial(cri) charge_replace_final(crf) Note: The charge density in Poisson solver will be replaced by the charge density given by NEGF in the range from cri to crf.
Example:
$negfpoissonselfconsistent 100 31 40
In this case, the max number of iterations is 100 and the region for charge replacement is from 31 to 40.
related commands:
$ifsolvenegf