[Wien] Spin orbit coupling problem

[Aaron]

Thanks to Jiang and susanta. Then how to prepare case.indmc? Simply copy
another case.indm and add "c" to its filename? I hope someone give an
description or reference about the content of this file.

Best regards,

2009/4/8 susanta mohanta <susanta.phy at gmail.com>

> You have to provide case.indm, case.indmc and case.inorb and edit it
> properly and then do initso_lapw and then run the command.
> for just spinorbit coupling run runsp_lapw -so  -orb -i 100 -ec 0.0001 -cc
> 0.0001 -fc 1.0.hope this helps
>
> susanta
>
> 2009/4/8 Aaron <nkleof at gmail.com>
>
>> Dear wien2k developers and users:
>>
>>     I have a problem about spin-orbit coupling calculation. I followed the
>> procedure listed below:
>> 1) Do a general scf calculation:  runsp_lapw -eece -it0 -p -i 100 -ec
>> 0.000001 -NI
>> 2) initso
>> 3) runsp_lapw -so -eece -dm -it0 -p -i 100 -ec 0.000001 -NI
>> But the calculation stoped with following message in step 3:
>>
>> >   stop error: the required input file hybrid.indmc for the next step
>> could not be found
>>
>> Do I need .indmc file? I didn't find any description of this file in
>> user-guide.
>> Any advice is appreciated.
>>
>> Best regards,
>> Aaron
>>
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>>
>>
>
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