Dear Sirs, I want to generate STM images using Quantum espresso but I am facing difficulties in running pp.x. I have run a scf calculation to generate output files before running pp.x. scf calculation was terminated normally.But when I have tried to run the pp.x, I got the following type of error
*%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine chdens (1): Not implemented, please read above %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping .*.. I have tried to run with different version of espresso but in every case I got the same error. I am attaching files with this mail : 1. input for scf calculation 2.input for pp.x run 3. output of pp.x Input for scf has 545 atomic coordinates. This is an input for a slab calculation of two layer thickness. Please help me to sort out this problem. Thanks -------------------------------------------- Sourav Mondal PhD Student JNCASR , Bangalore Pin- 560064 India
input_scf.in
Description: Binary data
pp_negative_1.0V.in
Description: Binary data
pp_negative_1.0V.out
Description: Binary data
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