[Wien] K-points for Band structure

[Paresh Chandra Rout]

Dear Alpa,
I get an error while doing bands calculation . I followed the exact  step
what you have mentioned. The error message is as follows
forrtl: severe (64): input conversion error, unit 4, file
/home1/pcrout/WIEN2k/BFO/BFO.klist_band_1
I am attaching the k-point file here. Kindly tell me whether the generated
file format is fine or not.



On Mon, Jul 20, 2015 at 11:26 AM, Paresh Chandra Rout <
pareshchandra at iiserb.ac.in> wrote:

> Thanks Alpa . I will follow your suggestion and reply back to you  If any
> problem occurs .
>
> On Mon, Jul 20, 2015 at 11:10 AM, Alpa Dashora <dashoralpa at gmail.com>
> wrote:
>
>> Dear Paresh,
>>
>> Save the xcrysden kpoint file as xcrysden.klist. Then in w2web, task
>> section, select band structure window. In the symmetry pop-up, select "from
>> xcrysden" after that follow the standard procedure as given in UG.
>>
>> Best regards,
>>
>> On Mon, Jul 20, 2015 at 10:57 AM, Paresh Chandra Rout <
>> pareshchandra at iiserb.ac.in> wrote:
>>
>>> Dear all,
>>> I want to plot band structure for my system through some high symmetry
>>> kpoint path . I have generated the k-point mesh by taking the necessary
>>> symmetry points by using xcrysden . But I do not how to use these generayed
>>> points in wien2k for band structure calculation and the way to indicate
>>> high symmetry symmetry points along with the bands. Any help would be
>>> highly appreciated .
>>>
>>>
>>>
>>> Kind Regards
>>> Paresh Chandra Rout
>>> Research Scholar
>>> Indian Institute of Science Education and Research Bhopal
>>>
>>>
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>>>
>>
>>
>> --
>> Alpa Dashora
>>
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>
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