Re: [Wien] Electric field induced electronic properties

2017-02-25 Thread Oleg Rubel
It seems to be a feasible task. The saw-like potential will do the job. A special care should be taken when positioning the 2D layer. It should be situated midway between kinks of the saw potential. The best would be to plot the potential along the lines to verify. I hope this will help Oleg

Re: [Wien] Electric field induced electronic properties

2017-02-24 Thread Rajneesh Chaurasiya
Dear Sir, I want to compute the electronic properties of monolayer means how the band gap of monolayer are changes with the applied electric field. link of reference paper also attached in the previous mail. Thank you.. On Mon, Feb 20, 2017 at 9:50 AM, Rajneesh Chaurasiya

Re: [Wien] Electric field induced electronic properties

2017-02-19 Thread Oleg Rubel
The electric field in Wien2k is produced by adding a cell periodic (saw-like) potential. This implies that the field is not uniform. Half of the cell experience an opposite field. It is not the same as an external electric field in VASP. What are the properties you interested in? Oleg > On

Re: [Wien] Electric field induced electronic properties

2017-02-19 Thread Laurence Marks
Read the lapw0 section in the user guide, which gives information on how to apply an electric field. --- Professor Laurence Marks "Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi http://www.numis.northwestern.edu Corrosion in 4D

[Wien] Electric field induced electronic properties

2017-02-19 Thread Rajneesh Chaurasiya
Dear Wien2k users, I want to compute the electric filed induced electric properties of monolayer, so any one can help...how to apply electric field in wienk? I read one paper ( http://pubs.rsc.org/en/content/articlepdf/2016/ra/c6ra07415d) that is based on the VASP. So is it possible in the