Dear Experts,
Greetings!!!
Could someone please help me to cure the issue?
Regards
Bhamu
On Wed, Feb 19, 2020 at 5:45 PM Dr. K. C. Bhamu wrote:
> Dear Experts,
> Greetings!!!
>
> [Wien2k_19.1 with intel 2015 parallel version]
> [I will share original structure file/directory on your persona
Dear P. Blaha
Thank you for your help.
I would like to notice that I can see lines with label :SPI001 only in
the case in which
I don't change the "r-index, (l,s)index" and leave zero values for
them.
Earlier I had used RINDEX=1 LSINDEX=2 and got only :XOP lines in the
case.scfdmup file.
Si
WIEN2k is not a free package and needs a valid license.
After checking your name or your affiliation, I don't think that you
have such a license and from whereever you have your version of WIEN2k,
it is in principle not legal.
Regards
Am 25.02.2020 um 19:40 schrieb Prakash Govindaraj:
Dear
Your username and password were supplied by Peter Blaha when you purchased
a licence for Wien2k.
On Tue, Feb 25, 2020 at 12:41 PM Prakash Govindaraj
wrote:
>
>
> Dear Blaha,
>
>
>
> I would like to update my wien2k code that's why I am going to WIEN2k *'code
> Download'* area. its need user name
Dear Blaha, I would like to update my wien2k code that's why I am going to WIEN2k 'code Download' area. its need user name and password. for that case W2Web interface username and password may correct? if yes it is not opening in my situation or no how to know my username and password for wien2k
Look into the case.scfdmup file. Last line with label :SPI001 contains
sx,sy,sz.
On 2/25/20 1:49 AM, Artem Tarasov wrote:
Dear P. Blaha
Now I understand that I was wrong about a location of the spin texture
information (sx,sy,sz).
I thought that the ":XOP" line in .outputdm is exactly what I
I suspect that if you look carefully your P4/mmm cells are (a+b)/2,
(a-b)/2, c wrt to the Fm-3m cell. The parameters are then 1/sqrt(2),
1/sqrt(2), 1; nothing to worry about. Use a visualization program.
_
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think
What about comparing the distances in the case.outputnn files.
On 2/25/20 11:38 AM, Abhijeet Jaysingrao Kale (P18PH001) wrote:
Dear Prof. Blaha,
Thanks for the reply. I still have some doubts. I have Ba2ZnWO6 and
Ba2CdWO6 systems and both have Fm-3m space group. I want to replace Zn
by Cd in
Dear Prof. Blaha,
Thanks for the reply. I still have some doubts. I have Ba2ZnWO6 and
Ba2CdWO6 systems and both have Fm-3m space group. I want to replace Zn by
Cd in 25%, 50 % and 75% manner. So, total I will have five systems:-
(1) Ba2ZnWO6
(2) Ba2Zn0.25Cd0.75WO6
(3) Ba2Zn0.50Cd0.50WO6
(4) Ba2Zn0
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