Re: [Wien] error in calculation of eigen value

2018-03-08 Thread Gavin Abo

This looks like the WIEN2k 17.1 w2web bug reported before [1,2].

Are you using the fixed band.pl and scf.pl from the mailing list [3] or 
band.patch and scf.patch [4] for WIEN2k 17.1?


[1] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16743.html
[2] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16843.html
[3] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16069.html

[4] https://github.com/gsabo/WIEN2k-Patches/tree/master/17.1

On 3/7/2018 8:45 PM, Lalit Mohan wrote:

My version is 7.1

During execution of band structure task
at command x lapw1 -band
i am getting following message

Commandline: *x lapw1 -band *
Program input is: *""*

At line 75 of file modules_tmp_.F (unit = 5, file = 'root.in1c')
Fortran runtime error: End of file
0.003u 0.000s 0:00.00 0.0%  0+0k 0+0io 0pf+0w
error: command   /opt/wien2k/lapw1c lapw1.def   failed
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[Wien] error in calculation of eigen value

2018-03-07 Thread Lalit Mohan
My version is 7.1

During execution of band structure task
at command x lapw1 -band
i am getting following message

Commandline: *x lapw1 -band *
Program input is: *""*

At line 75 of file modules_tmp_.F (unit = 5, file = 'root.in1c')
Fortran runtime error: End of file
0.003u 0.000s 0:00.00 0.0%  0+0k 0+0io 0pf+0w
error: command   /opt/wien2k/lapw1c lapw1.def   failed
___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html