[Wien] malfunction w2web
Steven Homolya
steven.homolya at spme.monash.edu.au
Thu Oct 7 04:30:31 CEST 2004
Dear Ramkumar Thapa,
I had the same or very similar problem when running from linux
executables (as available from www.wien2k.at; i.e., I did not compile
the source). The problem is with structgen. I was unable to pinpoint the
problem. When I compile everything from the sources, structgen (and
w2web) works fine. If you're really in a hurry to get started, a viable
workaround is to copy a valid struct file to case.struct in the case
directory and then use structgen to edit it.
Note that the port number has nothing to do with your problem. It's just
a logical communication channel a where w2web talks to the network.
Steve
Ramkumar Thapa wrote:
> Sir,
> I have a serious problem with my w2web browser. I deleted the w2web
> folder (from /home/thapa/wien2k folder) and did the new setup again,
> but it opens again in the same old port 7890 which I had setup in the
> first time and hence opens the old STRUCTGEN tempelete. The reason why
> I am trying this is that when I give new values to x,y, and z in the
> structgen tempelete, and when I save and continue editing, it does not
> save it and always takes x=y=z=0.000 (ZERO). However, If I add atoms
> or for other atomic positions, it saves the values which I enter. x,y
> and z equal zero ONLY for the first atomic position.
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