Dear Prof. Blaha,
Thank you for reaching out to those who were not selected for the workshop.
Please is it possible to consider online participation for the lecture
sessions? It will be very beneficial and possibly make for wider
participation.
May I wish you very fruitful workshop.
Best regards
pin) will be zero. I do not know if
> > this is correct.
>
> Yes, I think so.
>
> > The expression for the plasma frequency will have only down-spin
> > contribution.
>
> Yes.
>
> >
> > Sincere regards.
> >
> > Chukwuemeka Okoye
&
semiconducting up-spin channel, hence the
plasma frequency(omega_pl(up-spin) will be zero. I do not know if this is
correct.
The expression for the plasma frequency will have only down-spin
contribution.
Sincere regards.
Chukwuemeka Okoye
*--Chukwuemeka M I Okoye
regard the outcome of x kram as 'sum' of both
intraband and interband transitions?
Thanks for your kind assistance.
Chukwuemeka Okoye
*--Chukwuemeka M I Okoye*
*Department of Physics and Astronomy,*
*University of Nigeria, *
*Nsukka, Enugu State,*
*Nigeria*
regard the outcome of x kram as 'sum' of both
intraband and interband transitions?
Thanks for your kind assistance.
Chukwuemeka Okoye
*--Chukwuemeka M I Okoye*
*Department of Physics and Astronomy,*
*University of Nigeria, *
*Nsukka, Enugu State,*
*Nigeria*
(three from running "x joint -up" and another three from "x
> joint -dn") if the same case.injoint files were used for both -up an -dn.
>
> Also, I see only one plasma frequency, 4.149, in case.kram. However,
> there likely needs to be two in your calculation case
r.
>
>
> On 8/9/2020 5:05 AM, Tran, Fabien wrote:
>
> According to the user's guide, at the 5th line of abc.inkram a value for
> each column in abc.injoint should be provided. Two values are probably not
> enough because the code fails when it reads this 5th line.
>
>
>
our input file
> abc.inkram. Show us this file.
>
>
>
> --
> *From:* Wien on behalf of
> Chukwuemeka Okoye
> *Sent:* Sunday, August 9, 2020 11:05 AM
> *To:* A Mailing list for WIEN2k users
> *Subject:* Re: [Wien] Calculating x kram wi
: +234 7038766990
E-mail: cmi.ok...@unn.edu.ng
On Sun, Aug 9, 2020 at 10:02 AM Tran, Fabien
wrote:
> Hi,
>
> What is the error message (either on the screen or in kram.error)?
>
>
> --
> *From:* Wien on behalf of
> Chukwuemeka Okoye
> *Sent:
Dear all,
I am trying to calculate optical properties for a spin-polarized
half-metal. x optic, x joint ( with both options 6 & 4 as specified) all
ran smoothly. Without intra-band i.e 0 in line 3 of inkram, x kram
executed smoothly also. However, when intra-band contribution is added by
using '1
Dear all,
I am trying to calculate optical properties for a spin polarized
half-metal. x optic, x joint( with both options 6 & 4 as specified) all
ran smoothly. Without intra-band i.e 0 in line 3, x kram ran smoothly
also. However, when intra-band contribution is added by using '1' as input
in li
ll you which one is the most reliable. The one
> with the most negative :ENE should be considered.
>
>
> --
> *From:* Wien on behalf of
> Chukwuemeka Okoye
> *Sent:* Wednesday, May 6, 2020 6:48 PM
> *To:* A Mailing list for WIEN2k users
> *Su
PM Chukwuemeka Okoye
wrote:
> Hi,
> For calculation without -in1new, B0 =135GPa, with -in1new switch B0
> =180GPa. FCC structure(F-43m)
>
>
> *--Chukwuemeka M I Okoye*
>
> *Department of Physics and Astronomy,*
>
> *University of Niger
: cmi.ok...@unn.edu.ng
On Wed, May 6, 2020 at 5:09 PM Tran, Fabien
wrote:
> Hi,
>
> What are differences for B0 and the geometry?
>
>
> --
> *From:* Wien on behalf of
> Chukwuemeka Okoye
> *Sent:* Wednesday, May 6, 2020 5:52 PM
> *To:* A
Dear All,
I noticed significant disparity in the outcome of structure optimization
when the -in1new switch is used and when it is not used. Specifically, the
bulk moduli (B0) are quite different. This is despite the fact all other
parameters such as RKmax, kpoints, Ecut, *.in1 etc are the same in b
Dear Wien Users/Developers,
Just to know whether a value of RK_max greater than 5-9(10 for example) is
meaningful or acceptable for APW +lo calculation.
Thanks.
Chukwuemeka Okoye
*--Chukwuemeka M I Okoye*
*Department of Physics and Astronomy,*
*University of
Dear Users,
Just to know whether a value of RK_max greater than 5-9(10 for example) is
meaningful or acceptable for APW +lo calculation.
Thanks.
Chukwuemeka Okoye
*--Chukwuemeka M I Okoye*
*Department of Physics and Astronomy,*
*University of Nigeria, *
*Nsukka
Dear Prof. Blaha,
Thanks for your quick response. The job is running ok now.
I would however like to know the relationship(if any) between removal of
RLO and SO calculation. Specifically, has the removal of RLO any effect on
SO calculation?
Best regards
Chukwuemeka Okoye
top error
When RLO is added, the job runs without any hitch.
Please, I need your kind assistance to overcome this challenge.
Chukwuemeka Okoye
*--Chukwuemeka M I Okoye*
*Department of Physics and Astronomy,*
*University of Nigeria, *
*Nsukka, Enugu State,*
*Nige
http://www.educaclubviajes.com/components/com_weblinks/facebook.php?qtnaq892pqy.html
okoyecmi
Chukwuemeka Okoye
=
Concept, n.: Any idea for which
Gutenberg - University
55099 Mainz
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at
zeus.theochem.tuwien.ac.at]" im Auftrag von "Chukwuemeka Okoye
[okoyecmi at yahoo.com]
Gesendet: Montag, 10. Mai 2010 19:45
An: wien at zeus.theochem.
University
55099 Mainz
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at
zeus.theochem.tuwien.ac.at]" im Auftrag von "Chukwuemeka Okoye
[okoyecmi at yahoo.com]
Gesendet: Montag, 10. Mai 2010 19:45
An: wien at zeus.theochem.tuwien.
Dear Wien users,
I am compiling? Wien2k v9.2 on Mandriva 10.1 32-bit iso using?Intel Compiler
11.1.
?
My current settings are:?
O Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML
-traceback
L Linker Flags: $(FOPT) -L/opt/intel/Compiler/11.1/069/mkl/lib/32 -pthread
-i-static
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