[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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