Re: [Wien] fold2Bloch installation problem.

2016-05-21 Thread Dr. Sanjeev Kumar Srivastava
Got it, Oleg. Thank you very much. Could successfully get the Tutorial_1 plots as suggested in the newly modified tutorial page. Will try now with my own calculations. Best regards Sanjeev Dr. Sanjeev Kumar Srivastava Associate

Re: [Wien] fold2Bloch installation problem.

2016-05-20 Thread Dr. Sanjeev Kumar Srivastava
fold2Bloch? If I understand right, I need to provide a .unfolded file, and then fold2Bloch creates a .f2b file for the final plotting. But I don't find any .unfolded file in a Wien2K calculation! Best regards Sanjeev ------------ Dr

Re: [Wien] fold2Bloch installation problem.

2016-05-18 Thread Dr. Sanjeev Kumar Srivastava
Dr. Sanjeev Kumar Srivastava Associate Professor Department of Physics Indian Institute of Technology Kharagpur Kharagpur 721302 India Ph.: 0091-3222-283854 (Office) 0091-3222-283855 (Residence) Mobile: 0091-9735444091

Re: [Wien] fold2Bloch installation problem.

2016-05-18 Thread Dr. Sanjeev Kumar Srivastava
I'll be waiting for Dr. Polak's code. Regards Sanjeev -------- Dr. Sanjeev Kumar Srivastava Associate Professor Department of Physics Indian Institute of Technology Kharagpur Kharagpur 721302 India Ph.: 0091-3222-2838

Re: [Wien] fold2Bloch installation problem.

2016-05-17 Thread Dr. Sanjeev Kumar Srivastava
ity to test :) As to the Matlab error, it might be useful to share the script in full. Oleg > On May 17, 2016, at 08:38, Gavin Abo wrote: > > Regarding the matlab error, that is probably something Dr. Rubel would need > to look into. It might have something to do with the eps variable th

Re: [Wien] fold2Bloch installation problem.

2016-05-16 Thread Dr. Sanjeev Kumar Srivastava
Once again, the angry faces are a combination of x and (. Dr. Sanjeev Kumar Srivastava Associate Professor Department of Physics Indian Institute of Technology Kharagpur Kharagpur 721302 India Ph.: 0091-3222-283854 (Office

Re: [Wien] fold2Bloch installation problem.

2016-05-16 Thread Dr. Sanjeev Kumar Srivastava
In continuation with my last mail.. Sorry! The angry faces represent just the set of characters x( Dr. Sanjeev Kumar Srivastava Associate Professor Department of Physics Indian Institute of Technology Kharagpur Kharagpur 721302

Re: [Wien] fold2Bloch installation problem.

2016-05-16 Thread Dr. Sanjeev Kumar Srivastava
Bloch calculations? I hope I am able to express myself properly. Best regards Sanjeev ------------ Dr. Sanjeev Kumar Srivastava Associate Professor Department of Physics Indian Institute of Technology Kharagpur Kharagpur 721302 India Ph.:

Re: [Wien] fold2Bloch installation problem.

2016-05-15 Thread Dr. Sanjeev Kumar Srivastava
Dear Gavin/Wien2K users Can I get the next set of instructions - how to plot the bandstructure after the unfolding? Best regards Sanjeev Dr. Sanjeev Kumar Srivastava Associate Professor Department of Physics Indian Institute of

Re: [Wien] fold2Bloch installation problem.

2016-05-15 Thread Dr. Sanjeev Kumar Srivastava
ld2Bloch executable ran successfully. On 5/15/2016 5:24 AM, Dr. Sanjeev Kumar Srivastava wrote: > Dear Wien2K users > > I am trying to compile fold2Bloch with the prescribed command line : > > ifort -warn all -traceback -free util.F fold2Bloch.F90 -o fold2Bloch > > but am getting erro

[Wien] fold2Bloch installation problem.

2016-05-15 Thread Dr. Sanjeev Kumar Srivastava
ode 1) Please help. ------------ Dr. Sanjeev Kumar Srivastava Associate Professor Department of Physics Indian Institute of Technology Kharagpur Kharagpur 721302 India Ph.: 0091-3222-283854 (Office) 0091-3222-283855 (Residence) Mobi