[Wien] About executable version

[Peter Blaha]

P.Novak, the author of the   qtl program is presently on vacations, thus
I'm not sure about it.

But a quick inspection of the code makes me believe, that the qtl program
for SO works only on spin-polarized mode ?

On the other hand, I cannot reproduce your error message "while: Expression Syntax."

can you run the normal   x lapw2 -so -qtl ??


Oleg Artamonov schrieb:
> Dear Peter,
> 
> I have used Wien2k_08_executables and successfully executed SCF with SO for 
> W.
> The case.inq is
> **************
> -6.  2.
> 1
> 1  2  0  0
> 2  1  2
> **************
> After running qtl qtl.def the output is in case.outputq, but the output 
> isn't affected by
> QSPLIT changing in case.inq.
> Running x qtl -so gives a message: while: Expression Syntax.
> Please, give me a cue where I am wrong.
> Thanks in advance,
>                                     Oleg
> 
> 
> ----- Original Message ----- 
> From: "Peter Blaha" <pblaha at theochem.tuwien.ac.at>
> To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
> Sent: Thursday, July 17, 2008 1:58 PM
> Subject: Re: [Wien] About executable version
> 
> 
>> A new WIEN2k_08_executables.tar.gz (updated qtl) is on the web.
>>
>> Oleg Artamonov schrieb:
>>> Dear Wien2k team leaders,
>>>
>>> May I ask you to update the executable version of the Wien2k for
>>> downloading, especially I need the new QTL version.
>>> The reason for this, that I still have problems with Wien2k compilation 
>>> and
>>> work temporary with executable version.
>>> I tried to compile QTL separately, but again got the error message:
>>> qtl: error while loading shared libraries: libmkl_lapack.so: cannot open
>>> shared object file:
>>> No such file or directory. I have found the recent discussion about this
>>> subject and I shall try to compile.
>>>
>>> Thank you in advance,
>>>                                     Oleg.
>>>
>>>
>>> _______________________________________________
>>> Wien mailing list
>>> Wien at zeus.theochem.tuwien.ac.at
>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>> -- 
>>
>>                                       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
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>>
> 
> 
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-- 

                                       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/
--------------------------------------------------------------------------