[Wien] severe bug in x_lapw

[Osama Yassin]

Dear Prof Blaha and Wien2k users

I had used "find/replace" in "gedit" and could change \r\n to \n but when
start initialization I got

sh: line 20 in ~/WIE2K/x: access denied..

How can I resolve this problem

O A Yassin
====

010/6/26 Osama Yassin <oyassin63 at gmail.com>

> 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 2010ĺš´06ć&#65533;&#65533;22ć&#65533;Ľ 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>>>>>>>>>>
>> >>
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>> >
>> > --
>> > -----------------------------------------
>> > 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
>> > -----------------------------------------
>> > _______________________________________________
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>> > Wien at zeus.theochem.tuwien.ac.at
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>> >
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