Garam Choi

5 Questions 17 Answers 0 Followers

Questions related from Garam Choi

How can I get Seebeck coefficient by doping with BoltzTraP?

Hi,all. I am a student in master course starting to learn about thermoelectric materials. Due to advice on this website, I can get thermoelectric properties with BoltzTraP and...

17 March 2016 6,759 14 View

Could we estimate the total calculation time for VASP?

Hello, all. I want to know when my job for VASP will finish. I know how long time it spent from OUTCAR but I want to estimate the CPU time (or real time) it needs for a job when it is executing...

09 February 2016 7,201 3 View

Could I know and adjust the transport direction from VASP?

Dear, Hello. I am a junior studying DFT for thermoelectric materials. I am in the elementary step for DFT calculation. I can only get VASP outputs for some materials. The question is "how can I...

22 January 2016 7,458 2 View

How could I make BoltzTrap input files from VASP outputs?

Hello. I am a beginner in this field. I want to calculate thermoelectric properties with BoltzTraP. I've finished setup of BoltzTraP and ASE and I've run examples. But I have a problem with...

02 November 2015 8,507 17 View

How could I make super cell and transform the coordinates of unit cell using VESTA?

Hello. Superiors. I want to make super cell structure to calculate band structure. I have been searching for it and found the paper attached (E.S.Tasci, "How to prepare an input file for surface...

01 October 2015 1,528 31 View