Meena Rittiruam

5 Questions 17 Answers 0 Followers

Questions related from Meena Rittiruam

Quantum Espresso: How to calculation Energy vs lattice parameter or volume?

Dear all,First of all, I'm a beginner for Quantum Espresso.According to...

05 December 2016 4,855 6 View

Quantum Espresso Error "mpirun noticed that process rank 3 with PID 2783 on node user exited on signal 9 (Killed)" ?

Dear all, I calculate GeSb6Te10 which super lattice (C long about 1000 nm) in Quantum Espresso. I have error that" mpirun noticed that process rank 3 with PID 2783 on node SRL exited on signal 9...

10 November 2016 8,921 5 View

How to plot quantities such as Seebeck vs. carrier concentration via BoltzTraP?

Dear Experts Form results of BoltzTraP with no carrier concentration. Please help me to plot quantities such as Seebeck vs. carrier concentration. (case sample Si.trace)1. What is SI unit of...

20 September 2016 1,728 12 View

How i calculate Phonon of CaMnO3 in CASTEP?

Dear, ExpertI'am can't calculate the phonon of CaMnO3 , while i'm following by the paper (attach file). Please let me to know the trick of CASTEP.Best regrads

23 June 2016 1,711 2 View

I calculated the band gap of CaMnO3 (Orthorhombic) by Materials studio, why doesn't this results correspond to the reference?

Hello I calculated the band gap of CaMnO3 by following computational details of FP Zhang et al., http://www.sciencedirect.com/science/article/pii/S0925838810023297 Which the calculation use same...

04 May 2016 969 3 View