[Wien] Error in Commandline: x lapw1 -band
Gavin Abo
gsabo at crimson.ua.edu
Tue Mar 13 05:40:59 CET 2018
That w2web error with gfortran is due to bugs in the band.pl and scf.pl
files. You need to apply the fixed files given in the mailing list
archive [
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2017-July/026651.html ,
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17169.html
].
On 3/12/2018 10:33 PM, Lalit Mohan wrote:
> 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
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