[Wien] Error in Commandline: x lapw1 -band

Lalit Mohan lalitmohan23jan at gmail.com
Tue Mar 13 05:33:02 CET 2018


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


During execution of initialize calculation i kept every parameter by
default and my batch files seems to be OK

My DoS plot, electron density, volume optimization task were performed
very well.

But in band structure task after generating kmesh using xcrysden

eigenvalue calculation (x lapw1 -band) gives above error massege
My version is wien2k_17.1
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20180313/fb9b47db/attachment.html>


More information about the Wien mailing list