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QuantumATK => General Questions and Answers => Topic started by: qiuminz on March 4, 2019, 03:45

Title: what's the difference between the two models in version 2018.06
Post by: qiuminz on March 4, 2019, 03:45

Dear  Quantumwise staffs:
  I  have calculated two MTJ  models, the only difference is the electrode extend region length.and I get two converged results.The log file and the hdf5 file show that these two results  are almost the same. and in the log file , I found the central region SCF process are different. In the end I calculated the Electrostaticdifferencepotential,and the difference is almost zero .
  But the size of hdf5 files are different. The elctest4.hdf5 is 154MB,and the elctest5.hdf5 is 220MB.
can you tell me if the configuration in elctest5.py  suitable? because this configuration is helpful for convergence.
I guess  the central region in both models are calculated in the same way. Is that so?   and why the two hdf5 files have different size?

Title: Re: what's the difference between the two models in version 2018.06
Post by: qiuminz on March 4, 2019, 05:10

log file

Title: Re: what's the difference between the two models in version 2018.06
Post by: qiuminz on March 4, 2019, 05:48

log file

Title: Re: what's the difference between the two models in version 2018.06
Post by: qiuminz on March 4, 2019, 05:50

the difference between elctrostaticdifferencepotential

Title: Re: what's the difference between the two models in version 2018.06
Post by: Petr Khomyakov on March 6, 2019, 09:46

Central region includes electrode extensions - this is why the calculation with larger extensions takes more time and creates a larger output file.  Please take a look at our docs, https://docs.quantumatk.com/tutorials/atk_transport_calculations/atk_transport_calculations.html, you may always do searching the docs with keywords to find relevant information.

Title: Re: what's the difference between the two models in version 2018.06
Post by: qiuminz on March 6, 2019, 12:10

Thank you vrey much