se.
Thanks a lot for your help.
Tarek Hammad.
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Dear all
Sorry, I just forgot to say something in my previous message which is:
I guess if I do not shift the k-mesh and since the number of k-points
was just one. It means that this one k-point should be Gamma point
(0,0,0) in case.klist.
Am I alright???
Thanks a lot once again.
Tarek
"no"
for the three division fields therein, I leave them blank !!!
I hope you help me.
Thanks a lot in advance
Tarek Hammad.
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for your kind help
Kind regards
Tarek Hammad.
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-hf
5- run_lapw -hf
Thanks a lot for your help.
Kind regards
Dr. Tarek Hammad.
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ssage
but that file for si suistitution gave me the error I mentioned in my previous
message.
Herein, I attatch the two structure files and the cif file as well.Please, if
you need more information tell me.
once again thanks a lot for your help.
Best regards
yours sincerely
Dr. Tarek Hammad
Facul
23
1 0 0 0.
1-1 0 0.
0 0-1 0.5000
24
Would you help me please.
Thanks alot
Tarek Hammad.
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Thanks a lot for your kind reply.
> Date: Sat, 26 Dec 2015 11:00:58 +0100
> From: t...@theochem.tuwien.ac.at
> To: wien@zeus.theochem.tuwien.ac.at
> Subject: Re: [Wien] Case.in1
>
> http://www.wien2k.at/reg_user/textbooks/DFT_and_LAPW_2nd.pdf
>
> On Sat, 26 Dec
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