[QE-users] Lambda ad Tc for Pb(111)

[Maciej Szary]

Thank you for your comment, it was very insightful. I've checked 
lambda.f90 as suggested. I'm not an expert, but the formulas looked as 
expected, so I've cross referenced them with my data, and indeed there 
was a division by zero.

A syntax error was on my part. I've used kpoints.x in order to generate 
k points supplied to lambda.x. I've copy-pasted the output directly to 
lambda.x input, but the first column numbers the k points, which is not 
a part of lambda.x syntax thus, I had one extra column. The column with 
weight was probably omitted (as it was 5th instead of 4th), and the z 
component (all 0.0) was used as k-point weights.

After the correction lambda.x produced the expected output.

Thank you for your help!

Regards,
Maciej Szary

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200615/9e2361e4/attachment.html>