[Pw_forum] quantum espresso pp.x calculating stm image with constant current mode

[Sun Tao]

Dear Quantum Espresso Users:

I meet with some problems in the calculation of STM images with constant
current mode using PP.x in quantum espresso. Through the comments in the
code chdens.f90 I defined the value of *isovalue* flag, then the commends
*heightmin* and *heightmax* determines the lowest and highest plane in
which to search the isovalue. However the output I have obtained has values
of z coordinates ranging from negative values to positive values and span
hugely, which seems to exceed the range of *heightmin* to *heightmax. *The
corresponding input and output files are attached (the .XSF file is not
complete, just part of the original output, to avoid exceeding the maximum
size of 200KB for the attached file). Thanks very much for helping me.

Tao

-- 
Tao Sun (Victor)
Graduate student
Department of Mechanical Science and Engineering
University of Illinois at Urbana-Champaign (UIUC)
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