[Wien] Regarding band structure

[Yasir Ali]

I do not know the reason but it may work.
Instead of giving command "x spaghetti -c" give only"x spaghetti".I assume this will work as it have worked for me many times.


 





Regards: 
Yasir Ali
Scientific  Officer
NINVAST
NCP Complex
 Quaid Azam University 
Islamabad Pakistan



________________________________
 From: Gavin Abo <gsabo at crimson.ua.edu>
To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> 
Sent: Tuesday, September 10, 2013 10:03 PM
Subject: Re: [Wien] Regarding band structure
 




Your approach is correct. I do not see anything wrong. When I run "x spaghetti", this is what I see 
>SPAGH: Read band energy from case.output1 number of k-points read in case.vector=          51
SPAGH END
0.043u 0.026s 0:00.07 85.7%	0+0k 0+0io 0pf+0w
>I am curious, why don't you have the 1st line? Is *.output1 in place? Other than that: no idea. Sorry.
>
>This may be a new line printed by Wien2k 13.1.  So likely an older version is being used.


On Tue, Sep 10, 2013 at 8:43 AM, sikandar azam <sikandar_hu at yahoo.com> wrote:
>>
>>Hello all
>>>I am facing the problem in plotting the band structure, especially for big compounds like biological compounds.
>>>I get this problem
>>>Commandline: x spaghetti -c
>>>Program input is: "" 
>>>
>>>
>>>number of k-points read in case.vector=         251
forrtl: severe (174): SIGSEGV, segmentation fault occurred
0.279u 0.069s 0:00.51 64.7%	0+0k 0+0io 12pf+0w
error: command   /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def   failed 
>>>please some one help me.
>>>thanks in advance
>>>with regards
>>>sikander Azam 
>>>
This is similar to a previously reported error:

http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-January/016037.html

To know if it solves the problem or not, the user would have to
      apply the fix to the old verison or use 13.1.  If it doesn't solve
      the problem, the user could do more debugging, the Intel article
      at the following link might help:

http://software.intel.com/en-us/articles/determining-root-cause-of-sigsegv-or-sigbus-errors


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