[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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