[Wien] Updating and Installing PORT for Structure Optimization

krutibas panda krutibas at hotmail.com
Fri Jul 30 01:30:34 CEST 2004


Dear Wien2k users,

I have the WIEN2k_03 wich doesn't have the PORT option. I am trying to 
update it to include the "PORT".

I downloaded the WIEN2k_04.tar. I replaced the old SRC_mini with the new 
SRC_mini and followed the instructions.

Now i am trying to optimize one of my strucures . In the case.inM file it 
only shows the
#(NEWT, BFGS, MOLD, NOSE;  tolf (a4,f5.2)) on the first line.

I believe if PORT was installed sucessfully then the PORT option should also 
appear.
#(PORT, NEWT, BFGS, MOLD, NOSE;  tolf (a4,f5.2))

Does this mean i haven't sucessfully installed the program "PORT"

I am just wondering how i should go about installing port. I mean i always 
have the option of installing the new version. I just want to do the 
updating.

thanks in advance for ur suggestions.

krutibas

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