[QE-users] Plotband.x .ps output only display dot

[Dr. Thomas Brumme]

Now that you mention it:

Erland, the K_POINTS card makes no sense.
Either you want to give a path from one point to another, than you
have to use K_POINTS {crystal_b} or you specify them using
K_POINTS {crystal} but then you have to give the points explicitly.
In the former case, the last point gets a "weight" of 1 as there is
no additional point.

Regards

Thomas

Zitat von Manu Hegde <mhegde at uwaterloo.ca>:

> looks like K-point units, please double check it.
> Manu
>
> On Sun, Apr 29, 2018 at 1:58 PM, Dr. Thomas Brumme <
> thomas.brumme at uni-leipzig.de> wrote:
>
>> Dear Erland (?)
>>
>> In the last line of your Cu.bands.in it should be "0 0 0 1" as
>> there is no additional point, but I don't know if this is the
>> origin of your problem. If not, we need more information, e.g.,
>> the version you're using, maybe part of the output (especially
>> with respect to the point above).
>>
>> And please, read the posting guidelines:
>>
>> http://www.quantum-espresso.org/forum#1.0
>>
>> Especially these points:
>>
>> "Remember that even experts cannot guess where a problem lies in
>> the absence of sufficient information. One piece of information
>> that must always be provided is the version number you are using."
>>
>> "Sign your post with your name and affiliation."
>>
>> Cheerio
>>
>> Thomas
>>
>> Zitat von Erland Rachmad <erland.rachmad at gmail.com>:
>>
>>
>> Dear users,
>>>
>>> I tried to do some band calculations of Copper for learning. I have ran
>>> scf
>>> and then bands calculation but whenever I tried plotband it always display
>>> dot without any line (I attach the .ps output file). How do I fix this?
>>> For
>>> the K_POINTS, I specify G-X-W-K-G-L-U-W-L-K|U-X for FCC path.
>>>
>>
>>
>> --
>> Dr. rer. nat. Thomas Brumme
>> Wilhelm-Ostwald-Institute for Physical and Theoretical Chemistry
>> Leipzig University
>> Phillipp-Rosenthal-Strasse 31
>> 04103 Leipzig
>>
>> Tel:  +49 (0)341 97 36456
>>
>> email: thomas.brumme at uni-leipzig.de
>>
>>
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