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/
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