Nobody will be able to help without more info.
About QTL-B errors: I (and others) have written several mails in the
past, how to fix the problem, or at least how to provide us with the
necessary information, for which atom / l-value / energy the problem
occurs and how the case.in1 file (or the
Dear Stefaan,
Thanks for the suggestion. My calculation failed within 10 iterations.
In some cases, it failed at the zeroth iteration by printing out
L2main: QTL-B error. So I had to change case.in1 manually. But for
other cases, it failed after the 3rd iteration, which motivated me to
try
Dear Prof. Blaha and Wien2k users,
I am running scf calculations using the following command
runsp_lapw -orb -cc 0.001 -i 6 -in1new 1 -p
After the first LAPW0 finishes, I see a warning
epl: Subscript out of range.
I dig into the package (version wien2k_09.1) and find the variable is
in
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