[Wien] Lapw1 and Lapw2 problem

[apu at veccal.ernet.in]

Dear Prof. Stefaan,
Thanks for your reply.

Yes there were messages showing that lapw1 and lapw2 were not compiled properly.
can you tell me why it is showing like that and how can I compile lapw1 and lapw2 properly.

Thanking you.

Regards,
Apu
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Apu Sarkar
Research Fellow
Variable Energy Cyclotron Centre
Kolkata 700 064
phone: 91-33-2337-1230 (extn. 3190)
Fax:   91-33-2334-6871 
INDIA
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----- Original Message -----
From: Stefaan Cottenier <Stefaan.Cottenier at fys.kuleuven.ac.be>
Date: Monday, October 11, 2004 9:29 pm
Subject: Re: [Wien] Lapw1 and Lapw2 problem

> 
> > 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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