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Subject: [Wien] Band structure a
dnesday 2018-03-21 09:55, hüsnü kara wrote:
>
> Date: Wed, 21 Mar 2018 09:55:37
>> From: hüsnü kara <husnukar...@gmail.com>
>> Reply-To: A Mailing list for WIEN2k users <w...@zeus.theochem.tuwien.ac.
>> at>
>> To: A Mailing list for WIEN2k users <wien@zeu
em.tuwien.ac.at>
Subject: [Wien] Band structure and Dos contradiction of an alloy
Dear Fabien Tran,
I was wrongly in digested mode, so I couldn`t answer your questions. Now, I
turned as non-digested mode.
I use normally (20X20X20) 8000 k-mesh, I increased it up to 64000, the result
has no c
Dear Fabien Tran,
I was wrongly in digested mode, so I couldn`t answer your questions. Now,
I turned as non-digested mode.
I use normally (20X20X20) 8000 k-mesh, I increased it up to 64000, the
result has no changed.
I noticed that my first e-mail was wrong. For spin down channels, both (the
87 Dresden
Von: Wien [wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von
t...@theochem.tuwien.ac.at [t...@theochem.tuwien.ac.at]
Gesendet: Montag, 19. März 2018 10:41
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] Band structure and Dos contradiction of an alloy
T
gt;
To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at>
Subject: Re: [Wien] Band structure and Dos contradiction of an alloy
Did you check the spaghettis for all relevant directions ?
If not, plot the band structure for other directions.
Ciao
Gerhard
DEEP THOUGHT in D. Adams; Hit
[wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von hüsnü kara
[husnukar...@gmail.com]
Gesendet: Montag, 19. März 2018 08:58
An: A Mailing list for WIEN2k users
Betreff: [Wien] Band structure and Dos contradiction of an alloy
Dear Peter Blaha and Fabien Tran,
I study on an alloy, its bandstructu
ien.ac.at>
To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at>
Subject: [Wien] Band structure and Dos contradiction of an alloy
Dear Peter Blaha and Fabien Tran,
I study on an alloy, its bandstructure and dos are in contradiction.
Bandstructure tells that it is m
Dear Peter Blaha and Fabien Tran,
I study on an alloy, its bandstructure and dos are in contradiction.
Bandstructure tells that it is metallic, dos tells that it is
semiconducting.
I sent your official e-mails bandstructure graphics, dos graphics, related
struct file and converged SCF cycle
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