[Wien] query about k-mesh shifting

Dr. K. C. Bhamu kcbhamu85 at gmail.com
Tue May 31 06:42:00 CEST 2016


Dear Kim
I checked the case.klist file but nothing is there as you suggested.

these are the contents of case.klist file:

         1         1         1         1         8  2.0 -7.0  1.5         0
k, div: (  4  4  4)
         2         1         1         3         8  2.0
         3         1         1         5         8  2.0
         4         1         1         7         8  2.0
         5         1         3         1         8  2.0
         6         1         3         3         8  2.0
         7         1         3         5         8  2.0
         8         1         3         7         8  2.0
         9         1         5         1         8  2.0
        10         1         5         3         8  2.0
        11         1         5         5         8  2.0
        12         1         5         7         8  2.0
        13         1         7         1         8  2.0
        14         1         7         3         8  2.0
        15         1         7         5         8  2.0
        16         1         7         7         8  2.0
        17         3         1         1         8  2.0
        18         3         1         3         8  2.0
        19         3         1         5         8  2.0
        20         3         1         7         8  2.0
        21         3         3         1         8  2.0
        22         3         3         3         8  2.0
        23         3         3         5         8  2.0
        24         3         3         7         8  2.0
        25         3         5         1         8  2.0
        26         3         5         3         8  2.0
        27         3         5         5         8  2.0
        28         3         5         7         8  2.0
        29         3         7         1         8  2.0
        30         3         7         3         8  2.0
        31         3         7         5         8  2.0
        32         3         7         7         8  2.0

Kind regards
Bhamu

On Tue, May 31, 2016 at 3:16 AM, Kim Kyoo <kyoo at postech.ac.kr> wrote:

> Dear Dr. Bhamu
>
> case.klist contains list of kpoints.
> You can check whether gamma (0 0 0) is inside or not
> 2016. 5. 31. 오전 4:17에 "Dr. K. C. Bhamu" <kcbhamu85 at gmail.com>님이 작성:
>
>> Dear Wien2k users
>> I performed a calulation but I forgot whether it was with k-mesh shit or
>> without shift during initialization.
>>
>> How I can know about this shifting of k-mesh, whether it was with
>> shifting or without shifting.
>>
>> Kind regards
>>
>> ------------------------------------------------
>> Dr. K. C. Bhamu
>> (UGC-Dr. D. S. Kothari Postdoc Fellow)
>> Department of Physics
>> Goa University, Goa-403 206
>> India
>> Mob. No.  +91-9975238952
>>
>> _______________________________________________
>> Wien mailing list
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>>
>>
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