Greetings from Prof Rajagopalan
I installed BoltzTraP code without any problem. I like to run for Al
I generated the data using Wien
When I gave the command ./x_trans BoltzTraP I got an error
COULD NOT OPEN FILE 5
ERROR IN OPENING FILE
Will some one help me how to overcome
Thanking you in
Dear Developers and users,
I am interested in studying a compound LaMgTl.
I have taken the lattice parameter and positions from this paper
Ternary Thallides REMgTl (RE = Y, La – Nd, Sm, Gd – Tm, Lu)
Rainer Kraft and Rainer P¨ottgen
Institut f¨ur Anorganische und Analytische Chemie, Westf¨alische
these numbers with
full precision.
In w2web (or makestruct) you can enter 1/3 and NOT only 0.3
Am 03.12.2013 08:30, schrieb Mathrubutham Rajagopalan:
Dear Developers and users,
I am interested in studying a compound LaMgTl.
I have taken the lattice parameter and positions from this paper
have to specify these numbers with
full precision.
In w2web (or makestruct) you can enter 1/3 and NOT only 0.3
Am 03.12.2013 08:30, schrieb Mathrubutham Rajagopalan:
Dear Developers and users,
I am interested in studying a compound LaMgTl.
I have taken the lattice parameter and positions
Dear Developers
Greetings from Rajagopalan Chennai
Recently we have installed WIEN2K in our DELL server We are using version
wien2k_ 12.1 We compiled without any error and tested for number of
systems.
We are now running for a system Co2FeSi
We are facing the problem of plane wave exhausted
You missed - sign
It should be -lmkl_lapack95
On Fri, Apr 5, 2013 at 3:56 AM, vishal jain vjain...@gmail.com wrote:
Dear Sir
Thank you sir as you suggest i have done now i'm getting
nrl@nrl-Vostro-220s-Series:~$ cd WIEN2k
nrl@nrl-Vostro-220s-Series:~/WIEN2k$ ./siteconfig_lapw
:
22.03.2013 13:38, Mathrubutham Rajagopalan wrote:
There is no scf1 and output1 files after running lapw1
This means that lapw1 already does not work.
So, again,
1. Check the file in directory /home/raja/wien2k/ parallel_options
there should be like:
setenv USE_REMOTE 0
setenv MPI_REMOTE 0
Dear developers and users,
Greetings!
Recently we installed recent Wien2k version with ubuntu OS in Dell server
It is running without any problem.
We have done the k-point parallelization.But it gives the following
error in lapw2.
we will be thankful to you if you can suggest how to overcome this
in the case directory might give
you more information on the cause of the error:
cat lapw2*.error
On 3/22/2013 12:03 AM, Mathrubutham Rajagopalan wrote:
Dear developers and users,
Greetings!
Recently we installed recent Wien2k version with ubuntu OS in Dell server
It is running without any
still seem
to be empty.
Second, did you compile Wien2k with -traceback in the Compiler options
line? If not, you need to add it, recompile, and run the scf again to try
to get more information on why lapw2 crashed.
On 3/22/2013 12:35 AM, Mathrubutham Rajagopalan wrote:
Dear Dr Gavin
raja
.
Second, did you compile Wien2k with -traceback in the Compiler options
line? If not, you need to add it, recompile, and run the scf again to
try to get more information on why lapw2 crashed.
On 3/22/2013 12:35 AM, Mathrubutham Rajagopalan wrote:
Dear Dr Gavin
raja at ubuntu://home/raja
08:35 AM, Mathrubutham Rajagopalan wrote:
Dear Dr Peter,
Thanks for the response
The error does not occur in sequential run
we have 8 processor But I used only four
I opened the following files All are empty
dstart.error
8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:59 lapw0.error
8 -rw-rw-r
Hello Dear
This is the output in terminal after lapw2
raja at ubuntu://home/raja/work/Cu$ x lapw2 -c -p
running LAPW2 in parallel mode
FERMI - Error
cp: cannot stat `.in.tmp': No such file or directory
** LAPW2 crashed!
0.0u 0.0s 0:00.11 45.4% 0+0k 96+184io 9pf+0w
error: command
I am waiting for your reply
Raja
Sent from my iPad
On Mar 22, 2013, at 5:21 AM, Lyudmila Dobysheva lyuka17 at mail.ru wrote:
The order of your actions should be another:
1. Make a fresh directory.
2. Make in terminal the commands by hand
x lapw0
x lapw1 -c -p
x lapw2 -c -p
and send us
the following shown below.
On 3/15/2013 1:01 AM, Mathrubutham Rajagopalan wrote:
Dear Developers and Users,
Recently we purchased a DELL power edge T620 server .
We have installed Ubuntu 12.04LS OS and for the ifort and mkl we used
Composer_xe_2013.2.146
options used:
Compiler options: -FR
Dear Developers and Users,
Recently we purchased a DELL power edge T620 server .
We have installed Ubuntu 12.04LS OS and for the ifort and mkl we used
Composer_xe_2013.2.146
options used:
Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -
Dear Developers and users,
Greetings from Rajagopalan Anna University Chennai
I have a query. I will be thankful if any one offer me a suggestion or
solution.
I am interested in a system Co2FeSi whose space group is 225
The following positions I used
Co0.25 0.25 0.25
Fe 0.5 0.5 0.5
Dear Developer and user of WIEN
Greetings fronm Prof M Rajagopalan
We have some problem in the installation
We have
INTEL core I3 with 500 GB hard drive and 4 GB RAM
It is loaded with OPEN SUSE 11.1
We like to install WIEN 11.1 version with ifort 9.0.033 and mkl 9.0
Already we have installed in
Dear Dr Blaha,
Greetings from Rajagopalan Anna University Chennai
I am doing the Band structure calculation for Co2FeSi
The space group is 225 The lattice parameter is taken from the x-ray work
I like to see the half metallicity in the compound
I did LDA, GGA and LSDA+U
By doing doing LSDA+U I am
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