[Wien] Spin orbit coupling problem

[Hong Jiang]

Hi Aaron,
The LAPWSO will always generate complex Kohn-Sham vectors even for 
systems with inverse symmetry, so the input files for lapw2 and lapwdm 
will be always in2c and indmc, respectively.
"c"  is automatically added to  case.in2  by initso, but for "dmat" you 
have to add it by yourself. 
  -Hong

Aaron wrote:
> 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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-- 
-------------------------------------------------------------------------
 Dr Hong Jiang
 Theory Department               + Phone: ++49-30-8413 4833       
 Fritz-Haber-Institut der MPG    + Fax: ++49-30-8413 4701 
 Faradayweg 4-6                  + E-mail: jiang at fhi-Berlin.mpg.de
 D-14195 Berlin,German           + Homepage: w3.rz-berlin.mpg.de/~jiang