I do not know the reason but it may work.
Instead of giving command x spaghetti -c give onlyx spaghetti.I assume this
will work as it have worked for me many times.
Regards:
Yasir Ali
Scientific Officer
NINVAST
NCP Complex
Quaid Azam University
Islamabad Pakistan
Hi wien2k users
I am trying to calculate plasma frequency. i use switch 6/7 in case.injoint and
the ran x joint. but in case.outputjoint plasma frequency as
Plasma frequencies:
w_p_xx w_p_zz [eV]
0. 0.
What is possible reason for not obtaining plasma
Hi
Thanks Peter Blaha for reply. I have semi conductor and EELOSS have peaks in
its graph.
Regards:
Yasir Ali
From: Peter Blaha pbl...@theochem.tuwien.ac.at
To: A Mailing list for WIEN2k users wien@zeus.theochem.tuwien.ac.at
Sent: Monday, July 22, 2013
Ok Thnks. Now i think i got it
Regards:
Yasir Ali
From: Peter Blaha pbl...@theochem.tuwien.ac.at
To: A Mailing list for WIEN2k users wien@zeus.theochem.tuwien.ac.at
Sent: Tuesday, July 23, 2013 10:26 AM
Subject: Re: [Wien] Plasma Freuency Not Obtained
Hi Dear Blaha,
I just want to see effect of electric field on band structure and dielectric
constant. I am just practicing on this now before starting my project. I think
some thing is wrong with choosing value of field! am i right?
Regards:
Yasir Ali
)
40 40 40 2.00 1 min IFFT-parameters, enhancement factor, iprint
30 100.0 (#of FK in E-field expansion, EFELD (Ry)
___
Please help in removing thiss error.
Regards:
Yasir Ali
(R2V)
40 40 40 2.00 1 min IFFT-parameters, enhancement factor, iprint
30 100.0 (#of FK in E-field expansion, EFELD (Ry)
___
Please help in removing thiss error.
Regards:
Yasir Ali
Regards:
Yasir
I am facing problem in wien2venus.py. i used wien2venus.py 50 50 50 to
generate case.rho3d file of electron density. When i used to plot this
generated file, i.e., case.rho3d in VESTA, it does not give plot but only give
an empty cube.
So any one can tell me what is the problem?
Regards:
Regards:
Yasir Ali
Scientific Officer
NINVAST
NCP Complex
Quaid Azam University
Islamabad Pakistan
From: Yasir Ali yasiralikhan...@yahoo.com
To: wien wien@zeus.theochem.tuwien.ac.at
Sent: Wednesday, July 17, 2013 10:23 AM
Subject: [Wien] How
Hi and good wishes to all wien2k users
Can we include the effect of external electric field in wien2k simulations. I
want to study the effect of external field electric field on band structure.
Regards:
Yasir Ali
yasiralikhan...@yahoo.com
Hi.
I need to know how to use LDA+U method for exchange and correlation and when it
is suitable to use?
Regards:
Yasir Ali___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the
Hi.
I need to know how to use LDA+U method for exchange and correlation and when it
is suitable to use?
Regards:
Yasir Ali___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the
First run or click x lapw2
then edit case.in5 and select your desirable plane. If you go through
default values it still work.
then run or click on x lapw5
finally click on rhoplot and select contour or 3d plot and click on plot
electron densiity plot
Regards:
Yasir Ali
yasiralikhan
Thanks alot Lyudmila Dobysheva
Its mean that i should leave the idea of superlattice calculationsat least for
some time.
Regards:
Yasir Ali
From: Lyudmila Dobysheva lyuk...@mail.ru
To: A Mailing list for WIEN2k users wien@zeus.theochem.tuwien.ac.at
Sent
Hi Dear users
I am a new user of WIEN2k and i want to have superlattice calculations. I am
intending to calculate optical properties of superlattice of ZnO and CdO i.e.
ZnO/CdO/ZnO.
Please tell me how to generate structure file of this system
Regards:
Yasir
Hi Dear users
I
am a new user of WIEN2k and i want to have superlattice calculations. I
am intending to calculate optical properties of superlattice of ZnO and
CdO i.e. ZnO/CdO/ZnO.
Please tell me how to generate structure file of this system
Regards:
Yasir
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