in the absence and presence of
the magnetic filed.
What is the problem?
Thanking you
M. Yazdani
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Majid Yazdani Kachoei,
Department of Physics, Faculty of Science,
University of Isfahan (UI), Hezar Gerib Avenue,
81744 Isfahan, Iran
phases that
according to the experimental results their Fermi surfaces and DOS’s must
be changed in the presence of the magnetic field I don’t see any change.
Thanking you
M. Yazdani
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Majid Yazdani Kachoei,
Department of Physics, Faculty
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Majid Yazdani Kachoei,
Department of Physics, Faculty of Science,
University of Isfahan (UI), Hezar Gerib Avenue,
81744 Isfahan, Iran.
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what's your suggestion?
thanks very much.
M. Yazdani
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Majid Yazdani Kachoei,
Department of Physics, Faculty of Science,
University of Isfahan (UI), Hezar Gerib Avenue,
81744 Isfahan, Iran.
On Sat, Dec 7, 2013 at 1:35 PM, t
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Majid Yazdani Kachoei,
Department of Physics, Faculty of Science,
University of Isfahan (UI), Hezar Gerib Avenue,
81744 Isfahan, Iran.
On Sun, Dec 8, 2013 at 5:57 AM, Majid Yazdani yk.ma...@gmail.com wrote:
I'm sorry
It's a mistake in writing.
I also check my
Dear Peter
You should probably repeat this.
what's your purpose?
I must repeat which calculations? scf or lapwdm?
I can hardly believe that changing alpha to 0.1 makes the orbital moment
exactly zero. Even plain GGA should give you some moment
why do you have this believe?
base on my results?
approximation.
It will give you a non-zero orbital moment.
Maybe you have made an error in some input file.
On 12/09/2013 01:26 PM, Majid Yazdani wrote:
Dear Peter
You should probably repeat this.
what's your purpose?
I must repeat which calculations? scf or lapwdm?
I can hardly believe
/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/
Majid Yazdani Kachoei,
Department of Physics, Faculty of Science,
University of Isfahan (UI), Hezar Gerib Avenue,
81744 Isfahan, Iran.
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Dear Wien2k authors and users
I‘m interested to study the topology of electron charge density of these
cases using the critic2 code. To calculate the electronic structures, I
used the wien2k13.1 using the B3PW91 with alpha=0.2 and PBE-GGA
exchange-correlation functionals. The spin polarization
Dear Wien2k authors and users
I’m interested to calculate total, Coulomb, and XC potential using wien2k
code. I performed the scf calculations using B3PW91 with alpha=0.2 using
following command:
runsp_lapw -p -so -eece -in1ef -i 900 -cc 0.1
Then I used lapw5 to calculate the potentials
dure (and which cannot be plotted directly in WIEN2k).
>
> On 02/17/2016 06:55 PM, Majid Yazdani wrote:
>
>> Dear Wien2k authors and users
>>
>> I’m interested to calculate total, Coulomb, and XC potential using
>> wien2k code. I performed the scf calculations using B3PW9
he
> HF and semilocal components. In addition, this hybrid term in the
> potential is applied only to electrons of a given angular momentum
> (d or f), whil it zero for the other electrons.
>
> F. Tran
>
>
> On Thu, 18 Feb 2016, Majid Yazdani wrote:
>
> Dear Prof. Blah
Dear Marcelo
Thank you so much for your reply.
I downloaded and watched the video you sent via link. This video explains
the band structure calculations using WIEN2k code, not WIENncm. Are the
band structure calculations in WIENncm the same as WIEN2k?
and searched the mailing list, but I
cannot find anything about the band structure calculations.
Could you explain me the band structure plotting with WIENncm code, step
by step, please?
Best regards
M. Yazdani-Kachoei
--
Majid Yazdani Kachoei,
PhD scholar of Physics
Department of Physics
Dear Wien2k users and authors
My research area is DFT and I work with Wien2k code. Now, I need to
calculate the effective masses of my cases under study. For this, I
download and install the mstar code based on
https://github.com/rubel75/mstar. I use the combination of this code and
Wien2k19.2.
the electron
and hole effective masses?
Thanks,
Majid Yazdani-Kachoei
--
Majid Yazdani-Kachoei,
Graduate Ph.D. student of Physics
Department of Physics, Faculty of Science,
University of Isfahan (UI), Hezar Gerib Avenue,
81744 Isfahan, Iran.
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