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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