[Wien] New qtl testing

[Oleg Artamonov]

Dear Pavel,

May I bring to your mind my problem?
Regards,
                    Oleg.

----- Original Message ----- 
From: "Pavel Novak" <novakp at fzu.cz>
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
Sent: Tuesday, July 22, 2008 11:41 PM
Subject: Re: [Wien] New qtl testing


> Dear Oleg,
>
> till August 3rd my access to the internet is very limited. I'll check the
> QTL program with your input data after returning to the Institute.
>
> Regards
> Pavel
> _________________________________________________
> Dr. Pavel Novak
> Department of Magnetism and Superconductivity
> Institute of Physics AS CR
> Cukrovarnicka 10, 162 53 Praha 6, Czech Republic
> tel: +420 2 20 318 532
> e-mail: novakp at fzu.cz
>
> On Tue, 22 Jul 2008, Oleg Artamonov wrote:
>
>> Dear Wien2k users,
>>
>> I have used Wien2k_08_executables and successfully executed SCF for TiC 
>> as
>> an example.
>> After that, I tested the new version of QTL with next case.inq.
>> The case.inq is
>>  **************
>>  -10.  10.
>>  1
>>  1  2  0  0
>>  2  1  2
>>  **************
>> Running x qtl gives only the message: while: Expression Syntax.
>> Running qtl qtl.def creates case.outputq, but case.qtl is empty!
>> Running (for testing) x lapw2 - band -qtl creates case.qtl as needed.
>>
>> Please, give me a cue what is wrong.
>> Thanks in advance,
>>                                     Oleg Artamonov.
>>
>>
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>>
>
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