dear Sourav, the prefix='Au_Ge' of the PP input file, must be equal of the SCF input file (prefix = 'Au_Ge-stm'). Please read the QE manual.
Best Arles V. GIl Rebaza IFLP - Argentina. 2016-04-25 6:59 GMT-03:00 Sourav Mondal <[email protected]>: > 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 > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- ###---------> Arles V. <---------###
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