[Wien] Fwd: error in copmilation ElaStic_1.0

[Rishi Singh]

Dear Sir, Prof. Gavin

Thanks a lot for solving my problem, now it is working.

 But, Now I got stuck at STEP 1.2. (Given Below)

STEP 1.2:

Calculate the energy or stress tensor of deformed structure using one of
the mentioned DFT

codes.

NOTICE to "WIEN2k" users:

A shell script program is provided under the name "ElaStic_WIEN2k_init"
which allows you

to initialize the deformed structures automatically.

Before executing this program, you must specify input variables of "WIEN2k"
calculations.

It is recommended to copy this file to the directory where "Dst??"
directories, e.g. Dst01,

exist. Then, modify line 23 of this program according to the accuracy of
your calculations.

The "WIEN2k_init_lapw_silent" script is the modified script file of the
"init_lapw" program.

You find FLAGS of "WIEN2k_init_lapw_silent" program if you write following
command in terminal:

$ WIEN2k_init_lapw_silent -H

Please tell me above in detail. so that i can use this package. I will be
highly obliged to You.


Sincerely yours

Rishi






On Sun, Jul 14, 2013 at 2:29 PM, Gavin Abo <gsabo at crimson.ua.edu> wrote:

>  The error 'No module named numpy' is most likely because Python numpy is
> not installed.  Make sure it is installed (sudo apt-get install
> python-numpy).
>
>
> On 7/14/2013 1:27 AM, Rishi Singh wrote:
>
> Dear Wien2k users and developers
>
>  I am interested in evaluation of second and third oorder elastic
> constants.
>
>  I am using Sony Vio Corei5, RAM 4GB and HD 500GB with OS UBUNTU
>  I have tried to compile ElaStic 1.0 package using the directions in
> "README" in ElaStic directory.
>
>  I have completed the following things
> 1. /home/dir1/dir2/ElaStic
>
> 2..$ tar xfvp adon_v1_0.tar.gz
>
>    $ cd SpaceGroups
>
>    $ make
>
>    $ cp sgroup $ElaSticROOT
>
>  Now when i am trying the next step ( $ ElaStic_Setup)
>  It is asking
>
>   +-----------------------------------------------------------------+
>      |*****************************************************************|
>      |*                                                               *|
>      |*                  WELCOME TO THE ElaStic CODE                  *|
>      |*        ElaStic Version 1.0.0, Release Date: 2012-01-01        *|
>      |*                                                               *|
>      |*****************************************************************|
>      +-----------------------------------------------------------------+
>
>      Which DFT code would you like to apply for the calculations?
>      exciting  ---------=>  1
>      WIEN2k    ---------=>  2
>      Quantum ESPRESSO --=>  3
> >>>> Please choose (1, 2, or 3): 2
>
>  I have choose 2. But it is giving the following error
>  Traceback (most recent call last):
>   File "ElaStic_Setup_WIEN2k", line 22, in <module>
>     from numpy import *
> ImportError: No module named numpy.
>
>  Please help me.
>
>
>  Kind regard
>   Rishi
>
>
>
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