Dear Sir/ Madam,
I am a registered user of WIEN2k having Registration ID Wien2k-3758. I want
to add my email address (rak...@gkciet.ac.in) to the WIEN2k mail list.
I request you to take necessary steps in this regard.
Thanks,
Dr. Rakesh Das
Department of Physics
GKCIET, Malda
Dear W2k team,
I should be much obliged if Robert Laskowski would introduce a new
structeditor command
so=orderallaintoconsecutivelayers(s,vec)
analogous to
sm=movealla(s,vec).
For instance, I have successfully designed the supercell
CORu0001-sqrt(3) x sqrt(3)R30deg
using structeditor.
Dear users
I run the scf for spin polarize calculation of Nd3Si1.25Se7 using GGA+U.
I used the command runsp_lapw -p -ec 0.1 -orb and converged the energy. The
calculations are completed but Nd3Si1.25Se7.energyup and Nd3Si1.25Se7.energydn
are empty.
Please help me what is the
Hi,
For a parallel calculation (-p), the orbitals energies are printed
in case.energyup_1, case.energyup_2, etc. (the same for dn).
On Thu, 6 Feb 2014, Saleem Ayaz wrote:
Dear users
I run the scf for spin polarize calculation of Nd3Si1.25Se7 using GGA+U.
I used the command runsp_lapw -p
Dear Sir
I calculated the density of state in parallel mode by giving the command x
lapw2c -p -qtl -up
and it give this error. Why the calculation show problem in
Nd3Si1.25Se7.energyup thoup I used -p
forrtl: severe (24): end-of-file during read, unit 30, file
Most likely the problem is that you don't have a valid .processes file
in your directory.
Without that, wien2k neglects the -p switch ...
Am 06.02.2014 10:36, schrieb Saleem Ayaz:
Dear Sir
I calculated the density of state in parallel mode by giving the command
x lapw2c -p -qtl -up
and it give
Dear wien2k users,
If any one has used the wien2k code (11.1 v) in core i7 machine with
CENTOS 6 linux, and ifort composer xe (May 2011), please can you send me
the OPTIONS in the insttalation of wien2k.
Thanking you,
R.K.Thapa
India
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An HTML attachment was
-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at
zeus.theochem.tuwien.ac.at]quot; im Auftrag von quot;Ramkumar Thapa
[r.k.thapa at gmail.com]
Gesendet: Dienstag, 6. Dezember 2011 11:44
An: A Mailing list for WIEN2k users
Betreff: [Wien] request
Dear wien2k users,
If any one has used
Thapa [r.k.thapa at gmail.com]
Gesendet: Dienstag, 6. Dezember 2011 11:44
An: A Mailing list for WIEN2k users
Betreff: [Wien] request
Dear wien2k users,
If any one has used the wien2k code (11.1 v) in core i7 machine with
CENTOS 6 linux, and ifort composer xe (May 2011), please can you send me
Betreff: Re: [Wien] request
Dear Prof. Gerhard,
In what machine ur using the 11.1.075 ifort??
R.K.Thapa
===
On Tue, Dec 6, 2011 at 4:29 PM, Gerhard Fecher fecher at
uni-mainz.demailto:fecher at uni-mainz.de wrote:
please check the mailing list,
just within the last few month there were many
Dear Wien2k community,
I am working on MgZnO in rocksalt and wurtazit structure my question is how
to calculate linerization energy. plz any body help.
Imad Khan
Ph.D Scholar Material Modeling Lab
Hazara University, Pakistan
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An HTML attachment was
Answer: don't. Except for molecules this is done by the code in a way
that is good.
2011/7/21 imad khan imadkhanphy.hu at gmail.com:
??? Dear Wien2k community,
I am working on MgZnO in rocksalt and wurtazit structure my question is how
to calculate linerization energy. plz any body help.
As an addendum, you only really want to do the linearization energies
yourself in the final steps for very precise calculations. If you
really, really, really need to, see the FAQ and notes on the main
webpage.
On Thu, Jul 21, 2011 at 3:41 PM, Laurence Marks
L-marks at northwestern.edu wrote:
I have the honor and pleasure for you the send the message,Mr. Professor
I inform you that I am a student search in laboratory of magnetism and high
energy physics in Morocco.
I worked on the ZnO thin films by ab initio from the code Wien2k 2007. but
I found a problem how to deposit the vacuum
Use x supercell to generate a film with some vacuum.
Am 23.10.2010 13:09, schrieb ould mohammed brahim khalil:
I have the honor and pleasure for you the send the message,Mr. Professor
I inform you that I am a student searchin laboratory of magnetism and
high energy physics in Morocco.
I
I have the honor and pleasure to send you this message
I inform you that I'm student Mauritanian in laboratory the high energy
physics and magnetism in Morocco
I work on ZnO thin films from ab initio, I really need your code to Win2k,but
I don't have money to buy the code,I don't have a
You can go for either of the DFT codes like Quantum Espresso, abinit,
exciting, elks, TBLMTO etc. These are free under gnu public license.
2010/10/21 Lukasz Plucinski pluto at physics.ucdavis.edu
There exist some other freeware DFT codes online, I guess...
On 10/21/2010 2:48 PM, ould
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