<div dir="ltr">Dear Developers,<div><br></div><div>I am trying to implement sumpdos.x to sum the PDOS files but encountering the following error:</div><div> ******************************************************************************<br>     from sumpdos : error #        24<br>     error opening PDOS_slab+limo_xdm.dat.pdos_atm#73(Cr1)_wfc#3(p)<br> ******************************************************************************<br><br>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). </div><div>This is for a molecule absorbed on a surface and I wish to know the PDOS of the surface post adsorption. </div><div>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?</div><div><br></div><div>Thank you in advance</div><div><br></div><div>Regards</div><div>Yuvam</div><br><br><br><div id="mt-signature">
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    </td><td><span style="color:transparent;font-size:0">07/09/22, 12:32:38 AM</span></td>

                
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