Dear Samant,
Just using more words to explain what Oliver wrote, you have to run kgen
again (and lapw1, lapw2 ...), because the k-points used to plot
bandstructure are not the tetrahedral mesh required by DOS calculations.
All the best,
Luis
2013/12/13 Oliver Albertini <o...@georgetown.edu>
> Hi,
>
> kgen gives a list of k points on a tetrahedral mesh. lapw1 generates the
> case.vector files.
>
> Sincerely,
>
> Oliver Albertini
>
>
> On Fri, Dec 13, 2013 at 5:02 AM, saurabh samant
> <saurabhsama...@gmail.com>wrote:
>
>> Dear WIEN2k authors & users,
>>
>> Calculating DOS after bandstructure gives FERMI-ERROR. In UG it is
>> given that we have to "recalculate case.vector file using tetrahedral
>> k-mesh" to calculate DOS after bandstructure. Hence, it is requested
>> to explain how to do the above step.
>>
>> Thanking you,
>> Yours sincerely,
>> Saurabh Samant
>> _______________________________________________
>> Wien mailing list
>> Wien@zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>> SEARCH the MAILING-LIST at:
>> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>>
>
>
> _______________________________________________
> Wien mailing list
> Wien@zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>
>
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
