 Re: Chern number ( No.1 ) |
- Date: 2021/03/30 15:24
- Name: Hikaru Sawahata <info@hikaruri.jp>
- Hi, I'm Hikaru Sawahata.
Please refer to this article, Phys. Rev. Materials 3, 024005 (2019).
For example, PdF2 (https://cmrdb.fysik.dtu.dk/c2db/row/F2Pd2-28a66c9b9a33) shows C = -2.
Hikaru Sawahata
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| Re: Chern number ( No.2 ) |
- Date: 2021/05/24 02:04
- Name: Simba <pshubham2805@gmail.com>
- Deare Developers,
While calculation the Chern number using input file calB.in which reads as follows:
1
0
0 0 1
100 100
and using command for this:
./calB filename.scfout < calB.in > calB.out
I am getting the following error in calB.out file:
Each[0] or Sum[1] Curvature:Band Number[0:Occupy Band]:Specify the direction:
Mesh Number:
Read the scfout file (MoSBi_chern.scfout)
The file format of the SCFOUT file: 0
The vesion is not supported by the current read_scfout
Kindly help me out
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| Re: Chern number ( No.3 ) |
- Date: 2021/05/24 12:18
- Name: Naoya Yamaguchi
- Dear Simba,
>The file format of the SCFOUT file: 0
>The vesion is not supported by the current read_scfout
The messages occur when you use scfout files created by the older version than OpenMX 3.9.
Please prepare `MoSBi_chern.scfout` with OpenMX 3.9.
Regards,
Naoya Yamaguchi
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| Re: Chern number ( No.4 ) |
- Date: 2021/05/24 17:44
- Name: Simba <pshubham2805@gmail.com>
- Dear Naoya,
Yeah, but I am already using OpenMX 3.9 and ran the calculation using 3.9 version and it created the file
MoSBi_chern.scfout automatically. Even I used the Graphene-Chern.dat file in work directory and performed calculation.
It again showing the same error. What could go wrong?
Thank you
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| Re: Chern number ( No.5 ) |
- Date: 2021/05/24 19:14
- Name: Naoya Yamaguchi
- Dear Simba,
Can you check the beginning of out files corresponding to the scfout files?
If the following part is in agreement with your case except `X`, the version of OpenMX to create the scfout files is 3.9.
***********************************************************
***********************************************************
This calculation was performed by OpenMX Ver. 3.9.2
using XXX MPI processes and X OpenMP threads.
XXX XXX XX XX:XX:XX XXXX
***********************************************************
***********************************************************
Regards,
Naoya Yamaguchi
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| Re: Chern number ( No.6 ) |
- Date: 2021/05/24 20:52
- Name: Simba <pshubham2805@gmail.com>
- Yes it is showing 3.8 version. But I downloaded 3.9 version from the website and compiled it. What would you suggest, should I redownload it and recompil? Where else I can check I have compiled the right version?
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| Re: Chern number ( No.7 ) |
- Date: 2021/05/24 22:39
- Name: Simba <pshubham2805@gmail.com>
- I solved the issue I reinstalled the openMX. It worked.
Thank you
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Chern number