[Wien] Discontinuity in Seebeck coefficient

2017-03-28 Thread elsasab
Dear Wien2k users, I was calculating the transport properties for 2D material. In my results when I represented the seebeck coeffecient as a function of the chemical potential, I found discontinuty in the seebeck coefficient as I have many zero values for it at different value of the chemical

Re: [Wien] Chemical Potential Boltztrap

2017-02-28 Thread elsasab
Dear Prof. Gavin Abo Yes,I have tried it and I had to increase the value of ecut and efcut (ecut=efcut=.7), then I got zero and negative values for the chemical potential. But when I tried to represent the seebeck coefficient as a function of the chemical potential, I had a discontinuous curve

Re: [Wien] Chemical Potential Boltztrap

2017-02-28 Thread elsasab
Dear Prof. Gavin Abo; I'm so grateful to you for answering me. But related to the first question, I almost have checked the chemical potential coloumn in the trace file for all the examples in test directory of the BoltzTrap and I didn't find zero value nor negative values like what is shown

[Wien] Chemical Potential Boltztrap

2017-02-27 Thread elsasab
Dear Wien2k useres, I just started to use the Boltztrap program. I have read a lot of papers using this program but I still have some questions related with the input and output files. Firstly: In most of the published articles they represent the seebeck coefficient as a function of the