[QE-users] Error in pp.x calculation

[Pietro Delugas]

Dear Felipe

which version of pw.x did you use ?  I have tried the example  running  
all things with 6.5 version, and it worked.

In any case could you send me the xml data file ? thanks

kind regards - Pietro

On 07/06/20 00:45, Felipe Toledo Carrasco wrote:
> Dear Quantum Espresso community:
> I followed the steps of the tutorial from Christoph Wolf:              (https://christoph-wolf.at/2018/05/02/dipole-correction-in-quantum-espresso/). 
> I did scf calculations and now I need to carry out the pp.x 
> calculations. In this step, the outfile sends me the following error: 
>      Program POST-PROC v.6.5 starts on  6Jun2020 at 18:23:49      This 
> program is part of the open-source Quantum ESPRESSO suite      for 
> quantum simulation of materials; please cite          "P. Giannozzi et 
> al., J. Phys.:Condens. Matter 21 395502 (2009);          "P. Giannozzi 
> et al., J. Phys.:Condens. Matter 29 465901 (2017);           URL 
> http://www.quantum-espresso.org",      in publications or 
> presentations arising from this work. More details at 
> http://www.quantum-espresso.org/quote      Serial version      Reading 
> xml data from directory:      ./tmp/mgo.save/      Message from 
> routine qes_read:scf_convType:      convergence_achieved: wrong number 
> of occurrences      Message from routine qes_read:scf_convType:     
>  error reading convergence_achieved      Message from routine 
> qexsd_readschema :      error reading output_obj of xsd data file 
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 
>      Error in routine read_xml_file (4):      fatal error reading xml 
> file 
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 
>      stopping ...
> Please, I will be grateful if you help me with this, Regards,
>
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