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</o:shapelayout></xml><![endif]--></head><body lang=ZH-CN link=blue vlink=purple style='text-justify-trim:punctuation'><div class=WordSection1><p class=MsoNormal><span lang=EN-US>Hello everyone,<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US> Recently I make a small bash script to run a lot of small pw.x calculation one by one.<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US> But all of them use same outdir and wfcdir. They are temporary directories and I don’t need them ( I only need scf energy, so stdout is enough ). Is it necessary to delete them before starting a new calculation ? Because I have done a lot of calculation, I would like to verify whether this will affect the results to determine whether I should modify the script to restart my calculation again, or just use these result.<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US> Best regards,<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>Wu F<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US> <o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>-----------------------------------------------------------<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>F, Wu<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>College of Chemistry and Molecular Engineering<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>Peking University<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>----------------------------------------------------------<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p></div></body></html>