In addition to Dr. Abo suggestions: Generation of the k-path for unfolding can 
be tricky. It is generated keeping in mind the k-path you aim for the plot 
after unfolding + k-points that are not explicitly on the path, but can 
contribute there after unfolding. For instance, is you aim for the path 
(0,0,0)-(0,0,1/2) to plot with Matlab script, the *.klist_band should include 
points between (0,0,-1/2)-(0,0,1/2). More complex paths need much more 
thinking, though.

Maciej Polak from Wroclaw is working on a code to assist with the *.klist_band 
generation for unfolding. As far as I know he is ready to release it. You might 
have the first opportunity 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 <gs...@crimson.ua.edu> 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 that is 
> used (on line 60).  I don't see it defined in a preceding line.
> 
> The .klist_band should be created just like before a band structure 
> calculation, either using XCrySDen, the WIEN2k templates, or by hand.  It 
> looks like the .unfolded was replaced by .f2b.  The .f2b file is created by 
> fold2Bloch.
> 
> On 5/16/2016 10:35 PM, Dr. Sanjeev Kumar Srivastava wrote:
>> Dear Oleg/Gavin/Wien2K users
>> 
>> I am trying to follow the instructions. However, I am getting the following 
>> error in MatLab:
>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>>> ubs_dots
>> ??? Error using ==> axis>LocSetLimits
>> Vector must have 4, 6, or 8 elements.
>> 
>> Error in ==> axis at 96
>>                 LocSetLimits(ax(j),cur_arg);
>> 
>> Error in ==> ubs_dots at 84
>> axis([0 max(L) min((ENE-Ef)*ry2ev) max((ENE-Ef)*ry2ev)])
>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>> 
>> Certainly, I need your help here.
>> 
>> Further, the Tutorial directories contain case.klist_band, case.struct and 
>> case.unfolded files. They must have come from a previous calculation. 
>> case.struct is clear, but which are the files from the previous run that 
>> should be copied as .klist_band (perhaps generated after a bandstructure 
>> calculation) and .unfolded in a new directory for fold2Bloch 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.:     0091-3222-283854 (Office)
>>          0091-3222-283855 (Residence)
>> Mobile:  0091-9735444091
>> ------------------------------------------------------------------
>> 
>> ----- Original Message -----
>> From: "Oleg Rubel" <oru...@lakeheadu.ca>
>> To: "A Mailing list for WIEN2k users" <wien@zeus.theochem.tuwien.ac.at>
>> Sent: Monday, May 16, 2016 4:47:10 PM
>> Subject: Re: [Wien] fold2Bloch installation problem.
>> 
>> Please check fold2Bloch/Utils/ubs_dots.m
>> It is a matlab script. Variables in “Init. parameters” section should be 
>> modified for your individual structure.
>> If I recall correctly, matlab R2014a was the latest version that creates 
>> “petty” dot plots. Mathworks modified their plot engine later and 
>> acknowledged that this broke some features.
>> 
>> Oleg
>> 
>>> On May 16, 2016, at 2:36 AM, Dr. Sanjeev Kumar Srivastava 
>>> <sanj...@iitkgp.ac.in> wrote:
>>> 
>>> 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 Technology Kharagpur
>>> Kharagpur 721302
>>> India
>>> 
>>> Ph.:     0091-3222-283854 (Office)
>>>         0091-3222-283855 (Residence)
>>> Mobile:  0091-9735444091
>>> ------------------------------------------------------------------
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