[Wien] STM simulations

[todorova at fhi-berlin.mpg.de]

Hi Michael,

please find in the attachment a revised version for the STM simulations
package, which should work also with WIEN2k.
Best wishes,
Mira

> How does one perform constant current simulations using Wien2k
>
> Michael
>
> On Sun, 2006-05-28 at 17:57 +0200, Peter Blaha wrote:
>> a) I think that this code is quite compatible also with WIEN2k. As far
>> as
>> I know it has a convenient interface for a "constant current"
>> simulations.
>>
>> b) Using standard lapw5 you can easily simulate "constant hight"
>> simulations, but also "constant current" is easy (at least along lines).
>>
>>
>> > I am planning to do some STM simulations. A long time ago I was given
>> > code from Mira Todorova with an altered version of lapw5. However,
>> this
>> > was for Wien97. I was wondering if any one else has developed methods
>> > for stm simulations. I have also seen a software package known as
>> bSKAN
>> > being mentioned. Does anyone have any experience with this.
>> >
>> > Thanks
>> >
>> > Michael
>> >
>> > _______________________________________________
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>> > Wien at zeus.theochem.tuwien.ac.at
>> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>> >
>>
>>
>>                                       P.Blaha
>> --------------------------------------------------------------------------
>> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
>> Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
>> Email: blaha at theochem.tuwien.ac.at    WWW:
>> http://info.tuwien.ac.at/theochem/
>> --------------------------------------------------------------------------
>> _______________________________________________
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>>
>
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