 Re: The problem about NEGF calculation ( No.1 ) |
- Date: 2018/11/06 18:04
- Name: Mitsuaki Kawamura <mkawamura@issp.u-tokyo.ac.jp>
- Dear Weiqi
Hello,
The utility program TranMain is included in the main program openmx since version 3.8.
Please refer the following section of manual.
Step 3: The transmission, current (density, and eigenchannel)
http://www.openmx-square.org/openmx_man3.8/node117.html
Best regards,
Mitsuaki Kawamura(ISSP, U-Tokyo)
|
| Re: The problem about NEGF calculation ( No.2 ) |
- Date: 2018/11/07 11:35
- Name: Weiqi Li <tccliweiqi@hit.edu.cn>
- Dear Mitsuaki Kawamura
Thank your for your reply. However, according to the example in test, carbon chain,
the negf-chain.tran0 0, negf-chain.current, and ’negf-chain.conductance can't be
generated in version 3.8.
In fact, in version3.7, I have calculated transport of some materials sucessfully.
Please give me some suggestion.
Weiqi
|
| Re: The problem about NEGF calculation ( No.3 ) |
- Date: 2018/11/07 11:56
- Name: Weiqi Li <tccliweiqi@hit.edu.cn>
- In our source directory, TRAN_Main_Analysis.o can be found, However, there isn't the part
*******************************************************
*******************************************************
Welcome to TRAN_Main_Analysis.
This is a post-processing code of OpenMX to analyze
transport properties such as electronic transmission,
current, eigen channel, and current distribution in
real space based on NEGF.
Copyright (C), 2002-2015, H. Kino and T. Ozaki
TRAN_Main_Analysis comes with ABSOLUTELY NO WARRANTY.
This is free software, and you are welcome to
redistribute it under the constitution of the GNU-GPL.
*******************************************************
*******************************************************
in the output file
|
| Re: The problem about NEGF calculation ( No.4 ) |
- Date: 2018/11/08 17:03
- Name: Weiqi Li <tccliweiqi@hit.edu.cn>
- This problem has been also solved.
|
|
This thread is locked.Only browsing is available.
The problem about NEGF calculation