[QE-developers] Error opening PDOS file (error # 24)

[Yuvam Bhateja]

Dear Developers,

I am trying to implement sumpdos.x to sum the PDOS files but encountering
the following error:
 ******************************************************************************
     from sumpdos : error #        24
     error opening PDOS_slab+limo_xdm.dat.pdos_atm#73(Cr1)_wfc#3(p)
 ******************************************************************************

There are in total 1500 files that I wish to sum but the program ends after
about 1019 files. I believe it is an error related to how many files
sumpdos.x can read. I have tried summing up the other files (from 1020 to
1500) and it sums up (probably because the total number of files read is
less than the limit).
This is for a molecule absorbed on a surface and I wish to know the PDOS of
the surface post adsorption.
PS- Is there a way to subtract the PDOS of the molecule from the total DOS
instead of summing the PDOS files of the surface?

Thank you in advance

Regards
Yuvam



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07/09/22,
12:32:38 AM
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