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)
chevron_GNR.in
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GNR+2V-08.XSF
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GNR_stm+2V-08.out
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stm+2V-08.in
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