Dear Gavin,
thanks for your prompt reply,
To make sure whether 3rd column is indicating the size/fatness of the
bands, i create the case.insp with two different input configurations in
line number # 11. (keeping all are same except line # 11)
As specified in the case.insp file line number # 11,
Dear Gavin,
thanks for your prompt reply,
To make sure whether 3rd column is indicating the size/fatness of the
bands, i create the case.insp with two different input configurations in
line number # 11. (keeping all are same except line # 11)
As specified in the case.insp file line number # 11,
On 06/24/2013 01:39 PM, mourad boujnah wrote:
yes I included the path in bashrc by running the commandsource .bashrc
2013/6/24 Elias Assmann mailto:elias.assm...@gmail.com>>
On 06/21/2013 10:59 PM, mourad boujnah wrote:
-> wannier90.x: wannier90.x computes kmesh...
yes I included the path in bashrc by running the command source .bashrc
2013/6/24 Elias Assmann
> On 06/21/2013 10:59 PM, mourad boujnah wrote:
>
>> -> wannier90.x: wannier90.x computes kmesh...
>>
>>> wannier90.x -pp cr (14:40:58) wannier90.x: Commande introuvable.
>>>
>>
> So do you ha
Dear Prof. Blaha,
You obtained in this week we can get new version of Wien2k with new utility for
making struct file in Terminal.
please let me know when I can download new version?
Yours
mahdisa
___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http
Some spacegroup have "2 different settings" (the origin of the cell is
shifted to another position). Wien2k requires a setting WITH inversion
symmetry at the origing and sgroup will do this for you in case of a
spinel-structure.
Other structures do not have this problem with settings and it i
Hello Saurabh,
Sgroup will try to find the smallest primitive cell by maximizing the
symmetry. This gives you the same structure.
Since this lowers the amount of inequivalent positions it does reduce
the freedom (so if you want to give one of them a slight nudge and break
the symmetry you ma
Dear Peter Blaha & WIEN2k users,
I am using WIEN2k 12.1 version. During initialization through w2web while
viewing outputsgroup we can accept either the case.struct file generated by
sgroup (which changes the position coordinates of the atoms in the
primitive cell) or keep our original file. Accord
On 06/21/2013 10:59 PM, mourad boujnah wrote:
-> wannier90.x: wannier90.x computes kmesh...
wannier90.x -pp cr (14:40:58) wannier90.x: Commande introuvable.
So do you have Wannier90 installed and in your $PATH?
___
Wien mailing list
Wien@zeus
9 matches
Mail list logo