DOS is just very
> small but clearly non-zero.
>
> There is no contradiction between DOS and bands and the literature is
> wrong.
>
> On 03/21/2018 12:47 PM, hüsnü kara wrote:
>
>> Hi,
>>
>> My struct file and my regular scf result are in addition.
>>
Hi,
My struct file and my regular scf result are in addition.
Best Regards,
sp2.tar.gz
<https://drive.google.com/file/d/1nW4EQm_NITlw-O55srh0SXnVvZVTqTr0/view?usp=drive_web>
2018-03-21 14:41 GMT+03:00 :
> Hi, yes attach your files.
>
> On Wednesday 2018-03-21 09:55, h
wrong for bandstructure calculations but I
know that I`m not wrong for bandstructure calculations. So if it is
possible, could you check it?
I can send you my struct file and my regular scf result.
Best Regards,
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result. Please, could you check these
results?
Best Regards,
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Hi,
It is not from experiment, from theoretical investigation, yes it does not
exist.
Best Regards,
2017-03-29 14:22 GMT+03:00 hüsnü kara :
> Hi,
>
> I mean that with mBJ and without mBJ. It is 0.6 eV without mBJ, 0.5 eV
> with mBJ
>
> Best Regards,
>
> 2017-03-29 13
Hi,
I mean that with mBJ and without mBJ. It is 0.6 eV without mBJ, 0.5 eV with
mBJ
Best Regards,
2017-03-29 13:43 GMT+03:00 hüsnü kara :
> Dear Wien Users,
>
> I study on magnetic quaternary-Heusler alloys. I did band structure
> calculations with GGA and GGA+mBJ approximations.
Dear Peter Blaha and Wien Users,
Is there any free code to calculate lattice thermal conductivity by Wien2k
output?
Best Regards,
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?
Best Regards,
Hüsnü Kara
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Dear Wien Community,
[image: Satır içi resim 1]
The unit of column 4 is e/(unit cell)?
Best Regards,
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Doktora Öğrencisi/ PhD Candidate
Yıldız Teknik Üniversitesi/ Yildiz Technical University
İstanbul / Turkey
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ruct
, nsp_2.struct, nsp_?.struct.
Thanks for in advance,
Best Regards,
Hüsnü
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Yıldız Teknik Üniversitesi/ Yildiz Technical University
İstanbul / Turkey
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Dear Wien Users,
I'm trying to do structure optimization for cubic CH3NH3PbI3. The program
was failed in lapw2:
'FERMI' - EFERMI OUT OF ENERGY RANGE
'FERMI' - STOP IN EFI
'FERMI' - ENERGY OF LOWER BOUND :
-11.98650
'FERMI' - NUMBER OF STATES AT THE LOWER BOUND :
0.0
'FE
t;
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-
Dear Wien Users,
In my previous e-mail, my study is for spin-polarized case.
Best Regards,
2014-12-02 11:25 GMT+02:00 hüsnü kara :
> Dear Wien Users,
>
> I study on transport properties. How can I regulate following red line in
> the file of gather_energy_pl ?
>
>
> c
Regards,
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Yıldız Teknik Üniversitesi/ Yildiz Technical University
İstanbul / Turkey
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else {
system("cat $name.energy_? $name.energy_?? > pip") ;
open(ENE,">$name.energy");
}
Best Regards,
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Hüsnü Kara
Doktora Öğrencisi/ PhD Candidate
Yıldız Teknik Üniversitesi/ Yildiz Technical University
İstanbul / Turkey
2014-08-27 9:03 GMT+03:00 hüsnü kara :
> Dear Kevin,
>
> Thank you,
>
> Best regards,
>
>
> 2014-08-26 21:24 GMT+03:00 Kevin Jorissen :
>
> (Note that something already goes wrong with the line "@: Expression
>> Syntax." which you didn't highl
ed ??
>
> Did you check the resulting magnetic moment of your non-so calculation ??
>
> Am 26.08.2014 16:03, schrieb hüsnü kara:
>
>> Dear Wien Users,
>>
>> I have a problem in my initso_lapw procedure for spin polarized
>> calculation. Could you tell me wher
Dear Kevin,
Thank you,
Best regards,
2014-08-26 21:24 GMT+03:00 Kevin Jorissen :
> (Note that something already goes wrong with the line "@: Expression
> Syntax." which you didn't highlight)
>
>
> On Tue, Aug 26, 2014 at 7:03 AM, hüsnü kara wrote:
>
>>
'formatted',0
52,'so.vorbdn_so', 'unknown','formatted',0
33,'so.vorbup', 'unknown','formatted',0
53,'so.vorbup_so', 'unknown','format
tion setup and steps,
> or your other mBJ calculations run fine except this one?
>
> On 8/21/2014 1:40 PM, hüsnü kara wrote:
>
> forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC
> Routine Line Source libifcore.so.5 2C9BD1F8 Unknown Unknown Unknown
>
7;t work"? Which problem occurs?
>
>
> On Thu, 21 Aug 2014, hüsnü kara wrote:
>
> Dear Wien Users,
>>
>> I tried to get mBJ Calculation for non-polarized case.
>> 1- StructGen
>> 2- Initialization Calc.
>> 3- Run Scf
>> 4- UserGuide 4.5.9 mo
gards,
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necessarily have to exist before
> the program starts.
>
> It's just WIEN2k's way of managing I/o. As long as the nn.error is empty
> after nn runs, all is good.
>
> Cheers
>
>
> Kevin Jorissen
>
>
> On Aug 21, 2014, at 10:12 AM, hüsnü kara wrote:
>
formatted',020,'setrmt.struct',
'old','formatted',021,'setrmt.struct_nn','unknown','formatted',0*
Please, could you tell me about my meaning of these. Are there any problems?
Best regards,
Hüsnü Kara
__
Unknown Unknown
lapw0 00401C79 Unknown Unknown Unknown
> stop error
Could you tell me about where did I do a mistake?
Best regards,
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h
Ok. Thank you
With regards,
25 Haz 2014 19:37 tarihinde "wasim raja Mondal"
yazdı:
> Hi,
> It is not error. Your calculation is correct. You can find
> discussion about hup command in the mailing list.
>
> Regards
> wasim
>
>
>
> On Wed, Jun 2
LAPW2 END
CORE END
CORE END
MIXER END
> stop
*Why does it write "hup: Command not found."?*
--
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Doktora Öğrencisi/ PhD Candidate
Yıldız Teknik Üniversitesi/ Yildiz Technical University
İstanbul / Turkey
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Unknown Unknown> stop error*
With regards.
2014-06-23 23:58 GMT+03:00 :
> Hi,
>
> what do you mean by "but it doesn't run"? Did the calculation crash?
> You have to give more details.
>
> F. Tran
>
>
> On Mon, 23 Jun 2014, hüsnü kara wrote:
>
an you help me?
With regards,
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Doktora Öğrencisi/ PhD Candidate
Yıldız Teknik Üniversitesi/ Yildiz Technical University
İstanbul / Turkey
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Ok. Thank you
With Regards,
3 Haz 2014 15:37 tarihinde "Brahim ABRAIME" yazdı:
> I think that this error has no effect on your calculation,that's what they
> told me before
>
>
> 2014-06-03 11:57 GMT+00:00 hüsnü kara :
>
>> Dear Wien2k Users,
>>
>
Unknown Unknown Unknown
lapw0 004039E9 Unknown Unknown Unknown
> stop error
Please, can you help me?
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Hüsnü Kara
Doktora Öğrencisi/ PhD Candidate
Yıldız Teknik Üniversitesi/ Yildiz Technical University
İstanbul / Tur
Dear Wien2k Users,
After this command: runsp_lapw -ec 0.1 -cc 0.1 -NI -i 50
I get "hup: Command not found." error.
Please, can you help me?
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Doktora Öğrencisi/ PhD Candidate
Yıldız Teknik Üniversitesi/ Yildiz Technical University
İstanbu
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Doktora Öğrencisi/ PhD Candidate
Y
*
Program didn't run. Can you help me?
With regards,
--
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Doktora Öğrencisi/ PhD Candidate
Yıldız Teknik Üniversitesi/ Yildiz Technical University
İstanbul / Turkey
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Dear Mr./Mrs./Miss.
I just started to use WIEN2k. I got structure optimization for TiC. Now, I
study to get band structure with SCF Calculation including SOC(spin-orbit
coupling) and non-SOC. Please help me?
Best regards,
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,
2014-02-07 10:16 GMT+02:00 hüsnü kara :
> Dear Miss/Mrs./Mr.
>
> I just started to use WIEN2k. I want to do structure optimization. I have
> tried to write correct script, but I have not accomplished. There are two
> script files in addition. First is the original script, seco
,
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*Research & Education Assistant Hüsnü KARA*
*PhD Candidate*
*Department of Physics, Faculty of Science and Arts, Yıldız Technical
University*
*Office: E-1025*
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