When you initialized the case_3, did you obey the rule, that changes
from sgroup MUST NOT be taken into account. When sgroup changes the
lattice tape (eg. introduces some centering, ...) the analysis will not
work.
On 10/09/2015 01:42 PM, Battal Gazi Yalçın wrote:
Dear Prof. Blaha and wien2k
Rather than giving the answer to the original question, I think it is
better to try and encourage people to solve problems themselves -- perhaps
I am being too much of an teacher, but that is my approach.
So, let me pose a question in response to the original question. What is
the relationship
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On 10/08/2015 07:34 PM, prasenjit roy wrote:
> I want to obtain the total number of electron in the unit cell, by
> summing over the total charge density within that unitcell and then
> match that number to the "atomic numbers times the respective
>
On Mon, Oct 12, 2015 at 04:43:24AM -0500, Laurence Marks wrote:
> Rather than giving the answer to the original question, I think it is
> better to try and encourage people to solve problems themselves -- perhaps
> I am being too much of an teacher, but that is my approach.
>
> So, let me pose a
Dear Prof. Blaha,
It is solved by means of your advice.
Thanks
Battal Gazi Yalcin
Sakarya University Department of Physics
Sakarya TURKEY
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