wannier90
instead of *x wannier90-so* which can call w2waddsp. Is it possible to give
rise to the errors in my last two emails?
Bests
Fnag
2015-10-30 19:04 GMT+08:00 Yue-Wen Fang <yuewen.f...@gmail.com>:
> Dear Elias,
>
> Thanks for your reminding me of the errors. Yes, I mean
Bingo! I have fixed the error after modifying the 'inwplot' file. Thanks,
Elias!
Bests
Fang
2015-10-30 19:35 GMT+08:00 Elias Assmann <elias.assm...@gmail.com>:
> -BEGIN PGP SIGNED MESSAGE-
> Hash: SHA1
>
> On 10/30/2015 12:04 PM, Yue-Wen Fang wrote:
> > + x wp
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gmail.com>:
> -BEGIN PGP SIGNED MESSAGE-
> Hash: SHA1
>
> On 10/30/2015 03:40 AM, Yue-Wen Fang wrote:
> > Step 1. write_inwplot
> >
> > Step 2. x wplot -wf 1 -up
> >
> > Step 3. x wplot -wf 1 -dn
> >
> > According to the User guide, these thre
(= 1 eV below EF, not 2 eV as you wrote ??)
> You can see in addition, that there is a "small" overlap with band 19, so
> you have to care about entanglement.
>
> PS: I hope you searched in case.scf2up, not scf2 !
>
> On 10/29/2015 05:46 AM, Yue-Wen Fang wrote:
>
>
Hi, Elias,
Thanks for your prompt reply. I modified the number of band indices to
accommodate more bands in the step of ‘write_inwf’. Great thanks for you
help.
Bests
Fang
2015-10-29 17:36 GMT+08:00 Elias Assmann <elias.assm...@gmail.com>:
> On 10/29/2015 10:25 AM, Yue-Wen Fang wrote:
According to the User guide, these three commands should create
case*.psink and case*.psiarg " files, but I found there was no data within
these files. Could you show me how to export WF for spin-polarized cases?
Best
Fang
2015-10-29 18:01 GMT+08:00 Yue-Wen Fang <yuewen.f...@gmail.com
what rules WIEN2k code depends on to print
the information of band indices in specific energy windows in case.scf*
files?
With my best regards
Fang
2015-10-27 21:33 GMT+08:00 Yue-Wen Fang <yuewen.f...@gmail.com>:
> Hi, Elias,
>
> Thank's for your instructions. I'll try to u
!
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East China Normal University <http://english.ecnu.edu.cn/>
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ml
> ]. You can probably use the Linux 'file' command [
> http://superuser.com/questions/791506/how-to-determine-if-a-linux-binary-file-is-32-bit-or-64-bit
> ] to check if the w2w executable file is 32 bit or 64 bit:
>
> $ cd ~/WIEN2k.14/
> $ file w2w
>
> (where $ is a bash ter
;ELF 64-bit LSB
> executable".
>
> How about the w2w file in the SRC_w2w folder of the ~/WIEN2k.14/
> directory, is it also gzip compressed data file?
>
>
> On 10/27/2015 2:02 AM, Yue-Wen Fang wrote:
>
> Dear Gavin,
>
> Thanks for the information.
>
> M
BTW, the band structure (subdir.spaghetti_ene) was written.
2015-10-27 17:26 GMT+08:00 Yue-Wen Fang <yuewen.f...@gmail.com>:
> *Dear Gavin,*
>
> *I really appreciate your kind help. Your question in last email motivated
> me to check the files in the SRC_w2w folder. "f
sts
Fang
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East China Normal University <http://english.ecnu.edu.cn/>
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Hi, Elias,
Thank's for your instructions. I'll try to use these commands to find the
hoppings.
Many thanks
Fang
2015-10-27 21:20 GMT+08:00 Elias Assmann <elias.assm...@gmail.com>:
> On 10/27/2015 02:04 PM, Yue-Wen Fang wrote:
> > For the hoping
> > integral, I
com>:
> Dear Fang,
>
> Glad you could solve your problem. For the record:
>
> On 10/27/2015 12:46 PM, Yue-Wen Fang wrote:
> > *After catting the file "subdir.werr", I found that "Error: Found
> > keyword mp_grid more than once in input file**".
>
>
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