<html><body><div style="font-family: arial, helvetica, sans-serif; font-size: 14pt; color: #000000"><div>Dear Tran,</div><div>Thank you very much for your reply. I have checked two files: <span style="color: #000000; font-family: arial, helvetica, sans-serif; font-size: 18.6667px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: 1; word-spacing: 0px; -webkit-text-stroke-width: 0px; display: inline !important; float: none; background-color: #ffffff;" data-mce-style="color: #000000; font-family: arial, helvetica, sans-serif; font-size: 18.6667px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: 1; word-spacing: 0px; -webkit-text-stroke-width: 0px; display: inline !important; float: none; background-color: #ffffff;">CuBr2C6H7N2hy.corewf and CuBr2C6H7N2hy.inc. There are not any problem in two files but unfortunately this error appear in first cycle in Hf calculation. I do not know how to solve this problem? Thank you again for your comments.</span></div><div><span style="color: #000000; font-family: arial, helvetica, sans-serif; font-size: 18.6667px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: 1; word-spacing: 0px; -webkit-text-stroke-width: 0px; display: inline !important; float: none; background-color: #ffffff;" data-mce-style="color: #000000; font-family: arial, helvetica, sans-serif; font-size: 18.6667px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: 1; word-spacing: 0px; -webkit-text-stroke-width: 0px; display: inline !important; float: none; background-color: #ffffff;">Rahnama</span></div><div><span style="color: #000000; font-family: arial, helvetica, sans-serif; font-size: 18.6667px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: 1; word-spacing: 0px; -webkit-text-stroke-width: 0px; display: inline !important; float: none; background-color: #ffffff;" data-mce-style="color: #000000; font-family: arial, helvetica, sans-serif; font-size: 18.6667px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: 1; word-spacing: 0px; -webkit-text-stroke-width: 0px; display: inline !important; float: none; background-color: #ffffff;"><br data-mce-bogus="1"></span></div><div><br></div><hr id="zwchr" data-marker="__DIVIDER__"><div data-marker="__HEADERS__"><b>From: </b>tran@theochem.tuwien.ac.at<br><b>To: </b>"A Mailing list for WIEN2k users" <wien@zeus.theochem.tuwien.ac.at><br><b>Sent: </b>Monday, February 29, 2016 8:57:21 PM<br><b>Subject: </b>Re: [Wien] HF error<br></div><div><br></div><div data-marker="__QUOTED_TEXT__">Is the file CuBr2C6H7N2hy.corewf empty? If yes, then it probably means<br>that the value of the "IPRINT" in CuBr2C6H7N2hy.inc are 0 instead of 1<br>(see user's guide). CuBr2C6H7N2hy.corewf is the file which contains<br>the core orbitals.<br><br>Be careful that hybrid functionals are several orders of magnitude more<br>expensive than LDA/GGA.<br><br>F. Tran<br><br>On Mon, 29 Feb 2016, rahnama@hsu.ac.ir wrote:<br><br>> Dear Wien2k users:<br>> <br>> For Hybrid functional (HF) calculations, I have faced with this error:<br>> <br>> <br>> <br>> LAPW0 END<br>> <br>> LAPW0 END<br>> <br>> LAPW1 END<br>> <br>> LAPW2 END<br>> <br>> CORE END<br>> <br>> Forrtl: severe (64): input conversion error, unit 29, file /home/CuBr2C6H7N2hy/CuBr2C6H7N2hy.corewf<br>> <br>> Image PC Routine Line Source<br>> <br>> hf 0000000 Unknown Unknown Unknown<br>> <br>> …<br>> <br>> <br>> <br>> <br>> <br>> Please let me know, how to solve this problem?<br>> <br>> Regards,<br>> <br>> Rahnama<br>> <br>> <br>><br>_______________________________________________<br>Wien mailing list<br>Wien@zeus.theochem.tuwien.ac.at<br>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<br>SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html<br></div></div></body></html>