[Wien] question about the elastic constants computation

[Jorissen Kevin]

elast programs sometimes don't compile correctly during siteconfig.
Go to the $WIENROOT/SRC_elast directory and check compilation for errors, are the executables copied to $WIENROOT?
Makefile and compile.msg will tell you what has/should have happened.
 
You can check back here for more help if needed.
 
good luck,
 
 
Kevin Jorissen
 
EMAT - Electron Microscopy for Materials Science   (http://webhost.ua.ac.be/emat/)
Dept. of Physics
 
UA - Universiteit Antwerpen
Groenenborgerlaan 171
B-2020 Antwerpen
Belgium
 
tel  +32 3 2653249
fax + 32 3 2653257
e-mail kevin.jorissen at ua.ac.be
 

________________________________

Van: wien-admin at zeus.theochem.tuwien.ac.at namens Shaorui Sun
Verzonden: zo 6-3-2005 19:00
Aan: wien at zeus.theochem.tuwien.ac.at
Onderwerp: [Wien] question about the elastic constants computation



Dear all:
      I want to calculate the elastic constants of Ge with diamond structure. When I run the elast_setup program, some messages were shown as follows:
--------------------------------------------------------
 /home/wien2k/wien2k/setelast: Command not found.

chmod: getting attributes of `eos.job': No such file or directory

chmod: getting attributes of `tetra.job': No such file or directory

chmod: getting attributes of `rhomb.job': No such file or directory
***************************************************

Now edit and run manually the scripts ./*.job
***************************************************
-------------------------------------------------------------
Who could tell me how to deal with it and what is the format of the *.job files?

Best Regards!
                        S. R. Sun
---------------------------------------------
Beijing Synchrotron Radiation Facility
Institute of High Energy Physics
Chinese Academy of Sciences
P. O. Box 918, 100049 Beijing
P. R. China
Tel: 0086+10 88236710
email:sunsr at ihep.ac.cn

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