Xinbiao Wang

2 Questions 2 Answers 0 Followers

Questions related from Xinbiao Wang

Application called MPI_Abort during CASTEP geometry optimization?

Dear CASTEP users and developers, I am using CALYPSO, a structure prediction software, which is interfaced with CASTEP. Randomly generated structures and evolved structures will be optimized by...

11 December 2022 9,809 1 View

Passivate dangling bonds with hydrogen atoms in material studio castep?

Dear all, I am studying electronic structure of quantum dots using castep. And I would like to passivate the dangling bonds with hydrogen atoms, but as mentioned in the attached papers,there are...

01 February 2022 6,261 3 View