「$negfpoissonselfconsistent」：修訂間差異
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無編輯摘要 |
無編輯摘要 |
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| （未顯示同一使用者於中間所作的 9 次修訂） | |||
| 第1行： | 第1行： | ||
$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.<br> | $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. You can also use this function and set the parameter with our GUI version at the input box of "Max Step","Repalced Charge Range" in GUI<br> | ||
$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: | Example: | ||
$negfpoissonselfconsistent | $negfpoissonselfconsistent | ||
| 第5行： | 第11行： | ||
31 40 | 31 40 | ||
In this case, the max number of iterations is 100 and the region for charge replacement is from 31 to 40.<br> | |||
In this case, the max number of iterations is 100 and the region for charge replacement is from | |||
related commands: | related commands: | ||
[[$ifsolvenegf]] | [[$ifsolvenegf]] | ||
於 2019年6月17日 (一) 17:13 的最新修訂
$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. You can also use this function and set the parameter with our GUI version at the input box of "Max Step","Repalced Charge Range" in GUI
$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