[Smeagol-discuss] problem with the bulk calculation

[Tao K]

Dear Smeagol user,

When I was trying to use Smeagol for bulk calculation ( Au(001)surface
), the program finished the siesta part but ended with:

"The transport is along the z direction"

However, there were no *.HST, bulklft.DAT and bulkrgt.DAT files. So I
couldn't use them for transmission calculations.

Moreover, in the output file, I found some strange information,such as:
siesta:   10   -36504.4537   -36508.4626   -36508.7272  0.0297 -3.4303
siesta: Mulliken populations before mixing
siesta: Mulliken populations before mixing
siesta: Mulliken populations before mixing
siesta: Mulliken populations after mixing
siesta: Mulliken populations after mixing
siesta: Mulliken populations after mixing
siesta:   11   -36504.4385   -36504.4214   -36504.6860  0.0001 -3.4005

I used smeagol1.0b and siesta-1.3flp and had patch the smeagol with
patch-flp-0b-1.patch.  Could anyone give me advices? Thanks a lot.

Attached below are my arch.make and output files.

Sincerely yours,
Kun Tao

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