Tersoo Atsue

3 Questions 3 Answers 0 Followers

Questions related from Tersoo Atsue

Why is nscf calculation with quantum espresso complaining of MCA parameter setting?

Dear friends, I was running an nscf calculation on my personal computer to compute band structure of a simple compound and I got this message: 4 more processes have sent help message...

07 July 2019 8,879 1 View

How can I generate virtual atom using virtual crystal aproximation (VCA)?

Hello friends, I am using quantum espresso package to compute some properties of solid solution compound. Something like AB(I1-xYx)3. So I need to generate a pseudopotential for the virtual atom...

07 July 2019 2,560 2 View

How do I solve the SRIM problem run time error '75': path/file access error when running TRIM calculation causing it to close?

I am using SRIM on windows 10 os. In trying to run any calculation the described information above pops up and the program closes. Any help will be appreciated. Thanks

05 May 2018 7,808 2 View