Re: [Pw_forum] problem with pp.x: unable to write quantity data

2016-08-15 Thread babaryk
Dear Paoli, Thank you for the response! The thing is I've specified data for both 'namelist & inputpp' and 'namelist & plot'. So, my input ought to be processed in a single run. To identify the place where the routine sticks, I've switched off the 'inputpp' & 'plot' sections in turn. It showed

Re: [Pw_forum] problem with pp.x: unable to write quantity data

2016-08-13 Thread Paolo Giannozzi
If I remember correctly, you may either extract the charge density and plot it in a single run, or extract the charge density, save it to file, plot it later with a separate utility. Apparently you did the latter, so there is nothing wrong. Paoli Il 08/ago/2016 12:32 PM, ha

[Pw_forum] problem with pp.x: unable to write quantity data

2016-08-08 Thread babaryk
Dear all, I've faced with a problem trying to extract total electron density over scf-calculation. While instructions in section were read correctly and finally I've got a file in an accord with the "filplot' instruction, further processing was aborted: Calling punch_plot, plot_num = 0