Search found 7 matches
- Thu Nov 17, 2022 7:45 am
- Forum: eOn
- Topic: Max_rate implementation in EON
- Replies: 2
- Views: 53800
Re: Max_rate implementation in EON
Hi, Thank you so much for your response. As mentioned earlier, we are encountering many low barrier events (barrier lower than 0.1 eV) corresponding to impurity diffusion in Fe which are undesirable for our simulations. The desirable diffusion processes (interstitial diffusion across the lattice) ar...
- Sat Nov 12, 2022 4:36 am
- Forum: eOn
- Topic: Max_rate implementation in EON
- Replies: 2
- Views: 53800
Max_rate implementation in EON
Hi, I am simulating impurity diffusion in iron with EON. I am getting few low barrier events (barrier lower than 0.1 eV) during EON run (file no_max_rate is attached). Then, I have read about the max_rate implementation to avoid such low barrier events (file max_rate is attached). Still, I am counte...
- Tue May 31, 2022 7:24 pm
- Forum: eOn
- Topic: Error in EON MPI installation
- Replies: 1
- Views: 27749
Error in EON MPI installation
Hello,
I am trying to build EON with MPI using make EONMPI =1 command. However I get the following error (image is attached). Can someone help in solving this error and building EON with mpi.
Regards,
Sanjay
I am trying to build EON with MPI using make EONMPI =1 command. However I get the following error (image is attached). Can someone help in solving this error and building EON with mpi.
Regards,
Sanjay
- Tue May 31, 2022 7:17 pm
- Forum: eOn
- Topic: Eon akmc moves not happening
- Replies: 2
- Views: 30200
Re: Eon akmc moves not happening
Thank you so much for your reply. Now, it is working fine.
Regards,
Sanjay
Regards,
Sanjay
- Wed May 18, 2022 6:17 pm
- Forum: eOn
- Topic: Eon akmc moves not happening
- Replies: 2
- Views: 30200
Eon akmc moves not happening
Hello, I am running eon akmc simulations on the metallic system. Eon is predicting saddle points correctly but it is not making any akmc move. AKMC moves are being canceled and I get the following errors: "Discarded results" and "canceled workunit" (Error image is attached) Any h...
- Thu Apr 28, 2022 12:53 pm
- Forum: eOn
- Topic: Application of stress in EON code
- Replies: 2
- Views: 26867
Re: Application of stress in EON code
Thank you very much for your reply. For our simulations, a fixed stress will be fine.
Regards,
Sanjay
Regards,
Sanjay
- Wed Apr 20, 2022 10:37 am
- Forum: eOn
- Topic: Application of stress in EON code
- Replies: 2
- Views: 26867
Application of stress in EON code
Hi, I am simulating the lattice deformation due to external stress. I would like to study the diffusion of any impurity in the lattice with AKMC in EON. I was wondering if I can apply external stress and run EON-akmc simultaneously. Any help will be appreciated. Regards, Sanjay Manda Ph.D. Student I...