[Wien] Lapw1 and Lapw2 problem

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.ac.be
Mon Oct 11 17:59:22 CEST 2004


> I am new to Wien2k. I have installed Wien2k in Linux9.0 with ifc8.0.
> Initially I am trying with the example file TiC.It is running well
> upto "Intialization calcution". 
> But when I am going to run SCF it is showing- lapw1 and lapw2 command
> not found.
> still I am able to plot the electron density plot.

Have a look in your $WIENROOT directory. Are there executable files 
there, named 'lapw1' and 'lapw2'? If not, go to SRC_lapw1 and look in 
compile.msg (screen output during compilation): probably there will be 
errors there, telling that lapw1 was not properly compiled (you should 
have seen the same messages on the screen during compilation). 
Similarly for lapw2. 

The electron density plot you see will be the superposition of atomic 
densities, as calculated by dstart (end of the initalization part).

Stefaan




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