| Re: tensile and compressive strains ( No.1 )|
- Date: 2020/11/10 15:56
- Name: Naoya Yamaguchi
>Does anyone have any other way to fix the problem?
You can check the dependence of parameters for SCF calculations to find appropriate values for the keywords.
And, you need to watch the history of Utot in MD steps.
| Re: tensile and compressive strains ( No.2 )|
- Date: 2020/11/13 14:36
- Name: T. Ozaki
For such a case, it might be better to increase the value from