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--></style></head><body lang=EN-US link=blue vlink="#954F72" style='word-wrap:break-word'><div class=WordSection1><p class=MsoNormal><span class=DefaultFontHxMailStyle><span style='font-size:12.0pt'>Hi <o:p></o:p></span></span></p><p class=MsoNormal><span class=DefaultFontHxMailStyle><span style='font-size:12.0pt'><o:p> </o:p></span></span></p><p class=MsoNormal><span class=DefaultFontHxMailStyle><span style='font-size:12.0pt'>It seems that the program reads the uncollected format with davcio. <o:p></o:p></span></span></p><p class=MsoNormal><span class=DefaultFontHxMailStyle><span style='font-size:12.0pt'>Hopefully it is sufficient you set disk_io=’high’ and the uncollected files will be written and kept after the run.<o:p></o:p></span></span></p><p class=MsoNormal><span class=DefaultFontHxMailStyle><span style='font-size:12.0pt'><o:p> </o:p></span></span></p><p class=MsoNormal><span class=DefaultFontHxMailStyle><span style='font-size:12.0pt'>Hope this helps <o:p></o:p></span></span></p><p class=MsoNormal><span class=DefaultFontHxMailStyle><span style='font-size:12.0pt'>Pietro <o:p></o:p></span></span></p><p class=MsoNormal><span class=DefaultFontHxMailStyle><span style='font-size:12.0pt'><o:p> </o:p></span></span></p><p class=MsoNormal>Sent from <a href="https://go.microsoft.com/fwlink/?LinkId=550986">Mail</a> for Windows 10</p><p class=MsoNormal><span class=DefaultFontHxMailStyle><span style='font-size:12.0pt'><o:p> </o:p></span></span></p><div style='mso-element:para-border-div;border:none;border-top:solid #E1E1E1 1.0pt;padding:3.0pt 0in 0in 0in'><p class=MsoNormal style='border:none;padding:0in'><b>From: </b><a href="mailto:d.baratella@campus.unimib.it">Dario Baratella</a><br><b>Sent: </b>Thursday, March 18, 2021 6:28 PM<br><b>To: </b><a href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a><br><b>Subject: </b>[QE-users] QE-GPU and KGEC</p></div><p class=MsoNormal><span class=DefaultFontHxMailStyle><span style='font-size:12.0pt'><o:p> </o:p></span></span></p><div><p class=MsoNormal>Dear all,</p><div><p class=MsoNormal><o:p> </o:p></p></div><div><p class=MsoNormal>I'm trying to calculate the conductivity tensor by using the KGEC software included in the qe package. I know that the KGEC code is compatible with qe until the 6.1 version and for this version the qe code was still using the old file format to save the wavefunctions.</p></div><div><p class=MsoNormal><o:p> </o:p></p></div><div><p class=MsoNormal>My problem is that I need to use qe-gpu for the scf calculation (for efficiency reasons). As far as I know there is no way to compile qe-gpu to make it save the wavefunctions in the old file format. My question is if someone knows a code that can turn the new file format into the old one. I tried to do a brief research on the web but i didn't find anything.</p></div><div><p class=MsoNormal><o:p> </o:p></p></div><div><p class=MsoNormal>Thank you so much for your answers.</p></div><div><p class=MsoNormal><o:p> </o:p></p></div><div><p class=MsoNormal><o:p> </o:p></p></div><div><p class=MsoNormal>Dario Baratella</p></div><div><p class=MsoNormal>Phd student</p></div><div><p class=MsoNormal>University of Milano-Bicocca</p></div><div><p class=MsoNormal>Department of Material Science</p></div></div><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><span class=DefaultFontHxMailStyle><span style='font-size:12.0pt'><o:p> </o:p></span></span></p></div></body></html>