Dear Pawel Lesniak,, I got the same \n error but when looking into x_lapw file I could not see \r\n. Can you tell us how to do this correction.
Yassin 2010/6/22 <lesniak at ifmpan.poznan.pl> > > > > I cannot verify this this. > > > It's possible. Described problem is caused by file attached in previous > mail - it has \r\n at the end of lines instead > of just \n (maybe that's just thunderbird under linux adds \r\n ?). > If one corrects this - everything is fine. > ntout > Regards, > Pawel Lesniak > > > yhzhao schrieb: > >> Dear Prof. Blaha, > >> I don't know if there is still some errors in the updated x_lapw. > >> It echo an error message " 'nknown option: `-", when I type x in the > >> command line, which should give the help message of x in the past > >> version x_lapw. > >> Is there anything wrong with it? > >> Regards, > >> yonghong > >> On 2010???06?��22?�? 04:19, Peter Blaha wrote:> > Yes, the tarball of > >> WIEN2k_10.1 has been updated.>> Roberto Iglesias schrieb:>> Dear > >> Peter>>>> Has this bug been corrected in the WIEN2k_10.1 tarball that > >> can be >> found in the WIEN2k web? I haven't yet installed this new > >> version and >> I would like to know if we need to substitute the x_lapw > >> script by >> the one you submitted prior to installation.>>>> Thanks a > >> lot!>>>> Roberto>>>> Roberto Iglesias Pastrana>> Departament of > >> Physics>> Universidad de Oviedo>> C/ Calvo Sotelo, s/n 33007 Oviedo>> > >> SPAIN>> Tel.: +34 985102898>> +34 985458136>> Fax: +34 985103324>> > >> e-mail: roberto at uniovi.es>>>> At 22:03 21/06/2010, Peter Blaha > wrote:>>> > >> Unfortunately there is a fairly severe problem in x_lapw>>> In > >> WIEN2k_10.1 after lapw2 the fermi-energy should be inserted into>>> > >> case.in1. This is done for x lapw2; but not for x lapw2 -c nor>>> for > >> the parallel calculations (x lapw2 -p)>>>>>> In essence, it would lead > >> to slightly different energy parameters >>> and thus>>> total energies > >> if one does the calculation seriell or parallel.>>>>>> The corrected > >> x_lapw script is included.>>>>>>>>> P.Blaha>>> > >> > -------------------------------------------------------------------------- > >> >>>>>> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 > >> Vienna>>> Phone: +43-1-58801-15671 FAX: +43-1-58801-15698>>> Email: > >> blaha at theochem.tuwien.ac.at WWW: >>> > >> http://info.tuwien.ac.at/theochem/>>> > >> > -------------------------------------------------------------------------- > >> >>>>>>>>>>>> _______________________________________________>>> Wien > >> mailing list>>> Wien at zeus.theochem.tuwien.ac.at>>> > >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien>>>>>>>>>> > >> > ------------------------------------------------------------------------>>>> > >> _______________________________________________>> Wien mailing list>> > >> Wien at zeus.theochem.tuwien.ac.at>> > >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien> > >> _______________________________________________Wien mailing > >> listWien at zeus.theochem.tuwien.ac.athttp:// > zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > >> > > > > -- > > ----------------------------------------- > > Peter Blaha > > Inst. Materials Chemistry, TU Vienna > > Getreidemarkt 9, A-1060 Vienna, Austria > > Tel: +43-1-5880115671 > > Fax: +43-1-5880115698 > > email: pblaha at theochem.tuwien.ac.at > > ----------------------------------------- > > _______________________________________________ > > Wien mailing list > > Wien at zeus.theochem.tuwien.ac.at > > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100626/32b81322/attachment.htm>