<div dir="ltr">Dear Prof Blaha and Wien2k users<br><br>I had used "find/replace" in "gedit" and could change \r\n to \n but when start initialization I got <br><br>sh: line 20 in ~/WIE2K/x: access denied..<br>
<br>How can I resolve this problem <br><br>O A Yassin<br>====<br><br>010/6/26 Osama Yassin <span dir="ltr"><<a href="mailto:oyassin63@gmail.com">oyassin63@gmail.com</a>></span><br><div class="gmail_quote"><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<div dir="ltr">Dear Pawel Lesniak,,<br><br>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.<br><br>Yassin<br><br><div class="gmail_quote">2010/6/22 <span dir="ltr"><<a href="mailto:lesniak@ifmpan.poznan.pl" target="_blank">lesniak@ifmpan.poznan.pl</a>></span><br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div class="im"><div><br>
<br>
> I cannot verify this this.<br>
<br>
<br>
</div>It's possible. Described problem is caused by file attached in previous mail - it has \r\n at the end of lines instead<br>
of just \n (maybe that's just thunderbird under linux adds \r\n ?).<br>
If one corrects this - everything is fine.<br></div>ntout <br><div><div></div><div class="h5">
Regards,<br>
Pawel Lesniak<br>
<div><br>
> yhzhao schrieb:<br>
>> Dear Prof. Blaha,<br>
>> I don't know if there is still some errors in the updated x_lapw.<br>
>> It echo an error message " 'nknown option: `-", when I type x in the<br>
>> command line, which should give the help message of x in the past<br>
>> version x_lapw.<br>
>> Is there anything wrong with it?<br>
>> Regards,<br>
>> yonghong<br>
</div>>> On 2010å¹´06æ&#65533;&#65533;22æ&#65533;¥ 04:19, Peter Blaha wrote:> Yes, the tarball of<br>
<div><div></div><div>>> WIEN2k_10.1 has been updated.>> Roberto Iglesias schrieb:>> Dear<br>
>> Peter>>>> Has this bug been corrected in the WIEN2k_10.1 tarball that<br>
>> can be >> found in the WIEN2k web? I haven't yet installed this new<br>
>> version and >> I would like to know if we need to substitute the x_lapw<br>
>> script by >> the one you submitted prior to installation.>>>> Thanks a<br>
>> lot!>>>> Roberto>>>> Roberto Iglesias Pastrana>> Departament of<br>
>> Physics>> Universidad de Oviedo>> C/ Calvo Sotelo, s/n 33007 Oviedo>><br>
>> SPAIN>> Tel.: +34 985102898>> +34 985458136>> Fax: +34 985103324>><br>
>> e-mail: <a href="mailto:roberto@uniovi.es" target="_blank">roberto@uniovi.es</a>>>>> At 22:03 21/06/2010, Peter Blaha wrote:>>><br>
>> Unfortunately there is a fairly severe problem in x_lapw>>> In<br>
>> WIEN2k_10.1 after lapw2 the fermi-energy should be inserted into>>><br>
>> case.in1. This is done for x lapw2; but not for x lapw2 -c nor>>> for<br>
>> the parallel calculations (x lapw2 -p)>>>>>> In essence, it would lead<br>
>> to slightly different energy parameters >>> and thus>>> total energies<br>
>> if one does the calculation seriell or parallel.>>>>>> The corrected<br>
>> x_lapw script is included.>>>>>>>>> P.Blaha>>><br>
>> --------------------------------------------------------------------------<br>
>> >>>>>> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060<br>
>> Vienna>>> Phone: +43-1-58801-15671 FAX: +43-1-58801-15698>>> Email:<br>
>> <a href="mailto:blaha@theochem.tuwien.ac.at" target="_blank">blaha@theochem.tuwien.ac.at</a> WWW: >>><br>
>> <a href="http://info.tuwien.ac.at/theochem/" target="_blank">http://info.tuwien.ac.at/theochem/</a>>>><br>
>> --------------------------------------------------------------------------<br>
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> --<br>
> -----------------------------------------<br>
> Peter Blaha<br>
> Inst. Materials Chemistry, TU Vienna<br>
> Getreidemarkt 9, A-1060 Vienna, Austria<br>
> Tel: +43-1-5880115671<br>
> Fax: +43-1-5880115698<br>
> email: <a href="mailto:pblaha@theochem.tuwien.ac.at" target="_blank">pblaha@theochem.tuwien.ac.at</a><br>
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