Check your struct file if the local rotation matrices are properly
defined (and orthogonal).
It could also be, that the test in SRC_wplot/modules_rc.F:
all(abs( matmul(A, transpose(A)) - Id(size(A,1)) ) < MAT_TOL
is too fine and a larger value of MAT_TOL should be set in this file.
print
The optics package does not work with HDLOs. You must use:
init -prec 2 -nohdlo
Am 03.05.2024 um 14:15 schrieb Pranjal Nandi:
Dear Community,
Hello.
W2K version 23.2. Runing in parallel mode with 10 locahosts.
When I run the optics (and x joint) after running the scf with prec 1,
everythi
Dear Community,
Hello.
W2K version 23.2. Runing in parallel mode with 10 locahosts.
When I run the optics (and x joint) after running the scf with prec 1,
everything works fine and I get a proper eloss file.
When I do the same thing with prec 2, in the eloss file everything is zero. The
attac
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