Thanks a lot for helping me to subscribe to daily wien emails. I am now
receiving the emails in r.k.thapa at gmail.com.
Regards
Dr.R.K.Thapa
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Hellow everybody,
Can any one tell me where do one find the data for plotting the energy bands
along various symmtery directions.
I want to use other package for plotting the band diagrams.
Thanks
R.K.Thapa
India
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Dear Dr. Uday,
The article by Madsen and Novak Calculating the effective U in APW methods.
NiO might help you.
All the best,
R.K.Thapa
Mizoram University
On Fri, Aug 27, 2010 at 9:47 PM, puday at iitk.ac.in wrote:
Dear WIEN2K user,
How one can find out the values of on-site
Dear Dr. Saeid,
I really appreciate your statements on using the laptops for ab initio
calculations. Please continue feeding such suggestions which is really
helpful for people like us.
Regards,
R.K.Thapa
Mizoram University
INDIA
===
2010/10/15 Saeid Jalali sjalali at
Dear Sahmik,
One need to install the compiler/mkl files under ROOT user only.
All the best,
R.K.Thapa
=
Physics Deptt,
Mizoram University
Aizawl
2010/9/3 shamik chakrabarti shamikphy at gmail.com
Dear wien2k users,
I want to install wien2k_08. For
shamik chakrabarti shamikphy at gmail.com
Dear Ramkumar Thapa Sir,
I have tried to install both fc and mkl under root user..but stil I
have the same problem.by the way I am trying to install in the system by
connecting it to my laptop through LAN connection..is that may
Dear wien2k users,
I am not able to install CENTOS 5.1 in icore3 laptop which had windows 7
already installed. Always error message appears. Is it due to
non-compatibility of CENTOS with icore3 or else.Can any one suggest inwhat
way to install linux, and which one is suitable for working with
Thanks a lot.
RKThapa
On Thu, Feb 17, 2011 at 9:42 AM, Dr Qi Wen YAO YAO.Qiwen at nims.go.jp wrote:
Not all Linux versions works with every PC (or laptop), often time only a
limited number of the Linux flavours can works with a PC. In your case, you
might want to try other Linux OSs - for
Dear Dr. Eguchi,
I am just surprised how you managed on Intel N270.However, thanks a lot for
the information.
Regards,
R.K.Thapa
India
==
On Fri, Feb 25, 2011 at 9:34 AM, EGUCHI Gaku
geguchi at scphys.kyoto-u.ac.jpwrote:
Dear Gerhard H. Fecher and R.K.Thapa
Sorry for missing the
Redhat which version??
R.K.Thapa
India
2011/5/13 Saad Omran somran at ksu.edu.sa
Actually, I am trying to install it on Redhat. Are you using Redhat as
well?
Thanks,
SAAD.
Dr. Saad Hamad Binomran
Assistant professor, Computational Condensed Matter Physics
Der users of wien2k, can BoltzTranp code be downloaded by registered users.
2011/5/15 Mojtaba Zareii smojtaba.zareii at gmail.com
Hi dear WIEN2K users
I was going to use WIEN2K?s results to study the transport properties of Al
by BotzTrap code . So I needed three files, i.e. ?case.struct? ,
Johannes Gutenberg - University
55099 Mainz
Von: wien-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: Montag, 16. Mai 2011 06:03
Bis
Hi there,
Have first FORTRAN 95 compiler and MKL appropriate to your linux OS. Once
these are installed, untar the wine2k code to a folder, unzip it and
./expand_lapw followed by ./siteconfig_lapw. Most important to see is your
OPTIONS file.
Finally run ./userconfig_lapw. After this setmyour w2web
Hellow Dr. Mahendran,
Have first FORTRAN 95 compiler and MKL appropriate to your linux OS. Once
these are installed, untar the wine2k code to a folder, unzip it and
./expand_lapw followed by ./siteconfig_lapw. Most important to see is your
OPTIONS file.
Finally run ./userconfig_lapw. After this
Dear Shamik,
Check your rmt values??
R.K.Thapa
India
2011/5/27 shamik chakrabarti shamikphy at gmail.com
Dear Wien2k users,
We have just installed wien2k in a laptop(COMPAQ) having core2duo
processor. Wien2k has been installed properly after compilation of all
files. To test it for Fe when
Dear Shamik,
Your options :
current:LDFLAGS:-L/home/avijitghosh/intel/fc/10.1.018/lib -static-intel
-Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread
current:DPARALLEL:'-DParallel'
current:R_LIBS:-L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32
-Bstatic -lmkl_lapack -lmkl_ia32
: wien-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, 31. Mai 2011 09:24
Bis: A Mailing list for WIEN2k users
Betreff: Re: [Wien] error during compilation (siteconfig_lapw
Dear Shamik,
Pl. check with the type of your processor-32/64 bit??Accordingly you
will have to do set up in OPTIONS.
Best wishes
R.K.Thapa
=
2011/5/31 shamik chakrabarti shamikphy at gmail.com
-- Forwarded message --
From: shamik chakrabarti shamikphy at
Hi Wien2k users,
Along with Grad, I also put the same question: WHERE CAN ONE FIND THE
TRANSITION PROBABILITY OUTPUT IN THE CODE.
R.K.Thapa
Mizoram University
India
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Thanks a lot Prof. Peter, this was our problem also.
R.K.Thapa
India
On Thu, Jun 30, 2011 at 5:54 AM, Peter Blaha
pblaha at theochem.tuwien.ac.atwrote:
Whithin the core-valence spectroscopies and the XSPEC package, the energy
dependent radial transition matrix elements are given
Dear Prof. Gerhard,
I have core i7 machine and have installed wien2k 11.1 version installed. We
are using the l_fcompxe_intel64_2011.5.220 version installed in it. When we
run the code for system with many atoms, we get errors : install glibc;
although we have installed it already.
please can you
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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Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
Von: wien-bounces at zeus.theochem.tuwien.ac.at [
wien-bounces at zeus.theochem.tuwien.ac.at]quot; im Auftrag von
quot;Ramkumar
Dear Dr. Gerhard
I have gone thru your doc *Fecher_CompileIntel.pdf.* Althoguh very useful
for older machines and old iforts. Have you got such doc for latest
machinesn like corei7/Xeons and composerxe ifort/mkl compilers.
Regards
Prof.R.K.Thapa
Mizoram Univ.
India
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Dear Dr. Sanjay
Thanks for your warm wishes.Wishn u also a happy Makar Sakranti.
Prof.R.K.Thapa
===
2012/1/15 SANJAY KUMAR SINGH sanjayfizix at gmail.com
Respected Prof. R K Thapa Sir,
Greetings for new year and warm wishes on makar sakranti.
Sir, I will certainly inform you when I
Dear Dr. Sanjay,
We are running wien2k code(2008) in centos5.1(64bits) with ifort 10.1.021
and mkl 9.1 with no problems at all.We have installed it in HP Laptop with
corei3 processor. Also, in centos 6.0 (64), we have installed wien2k 11.1
ver with ifort composerxe-2011.5.220 updates and mkl 12.0
Dear Dr. Sanjay
First of all my hearty Congratulations for installing Wien2k 11.1 code on
Ubuntu 10.04.3 (64 bit) on Dell Core i3 laptop of 3 GB RAM
with Intel FORTRAN composerxe2011.3.174. May i request you to kindly send
me the OPTION file (in wien2k code) and the .bashrc file that you have
Hi wien2k users,
can any one tell me how miller indices can be defined in wien2k
calculations.
R.K.Thapa
India
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Dear Allam
Your NUMBERS pertains ro what ??
Prof.RKThapa
India
==
2012/1/26 Ali Allam ali.allam at im2np.fr
Dear all
I am Ali ALLAM, 2nd year PhD
I work on WIEN2K from about 1 month
In my thesis, i must calculate the DOS of my crystals (that they are *
TETRAGONAL*) using the
Dear MPG,
We will start with Dibya's i5 machine. I will get back to you with
suggestions later ok.
Prof.R.K.Thapa
Mizoram University
Aizawl INDIA
===
2012/2/7 Madhav Ghimire ghimire.mpg at gmail.com
Dear Wien users,
I have installed centos 6 in my pc and successfully installed the
http://www.corsibarmanitalia.it/1l605l.php
Hellow Prof. Fetcher, Lawrence and Peter,
I have corei7 machine and tried to install wien2k 11.1 in it with centos 6
OS, and composerxe-2011.5.220 (ifortmkl). SCF runs ok with simple system
like TiC; but I when I run the scf with many atoms in the unit cell, it
give error as :
SIGSEGV,
Hi Gerahrd, Lawrence and Peter,
We have installed successfully wien2k 10 11 vers. in cenos 6 and
sicentific linux OS but with ifort composerxe 2011.1.080 in my corei7
laptom. We could now run big cases with many atoms ans also spin polarised
systems. However one has to be careful with the library
Dear Zahra
Perhaps some lib 32 files are required to be installed. Same had happened
when we installed wien2k 11 in Centos 6. All the best.
Prof.R.K.Thapa
Mizoram University
Aizawl INDIA
On Thu, Dec 20, 2012 at 11:56 PM, Zahra Talebi talebi_z2011 at yahoo.comwrote:
hi every body. we just tried
Reinstall wien2k code without errors.
Prof.R.K.thapa
India
=
On Sun, Apr 29, 2012 at 8:16 AM, Gavin Abo gsabo at crimson.ua.edu wrote:
As the error indicates, the executable file nn is missing.
Recompile all in siteconfig (selection R, then A) should fix the problem
except if compile
Respected Prof. Blaha,
I am awfully sorry how this has happened in linkedin. I have not done
nothing with this but you had been disturbed. As you can see I m one of the
oldest user and senior too. I regret how this spam has done such thing. I
seek apology for this disturbances.
Prof.R.K.Thapa
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