. Somehow this much of volume variation does not
look okay to me. Can I proceed with this or is there a problem with it? Is this
much of volume variation okay?
I have attached the structure files, optimize.job and energy vs. vol plots for
reference.
regards,
Ushma Ahuja
Faculty of Engineering
M
Yes, I tried doing the setup with just 'localhost' and it still gives the same
error message (host name lookup failure).
Infact just after the installation/setup of w2web, this same message occurs on
the terminal, clearly indicating that there has been some problem in the setup
itself.
and then switch
to mBJ calc? or can I directly re-initialize in some way for mBJ calc only?
rgds
Ushma Ahuja
ML Sukhadia University
Udaipur, India___
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and
SRC_lapw0/vresp.f files but got the same error again. (I used this patch
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-November/017911.html )
Help needed for this problem!
regards,
Ushma Ahuja
Faculty of Engineering
M .L. Sukhadia University, Udaipur
India
Thank you very much Dr. Marks and Dr. Blaha.
I rebooted my system with rescue mode and edited the bashrc file. The wrong
line added in bashrc was creating all the trouble. Thanks!
regards,
Ushma Ahuja
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Ms. Ushma Ahuja
Faculty of Engineering
Mohan Lal Sukhadia University
Udaipur, Indiaattachment: TiC_manual_parallel.jpg___
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and
further assume working on Wien. Also, kindly guide me that after getting out of
this problem, how I can run Wien jobs in local user (I have done the
installations in root). What changes do I need to make and where?
(Please excuse the long mail!)
Thanks,
Ms. Ushma Ahuja
Faculty of Engineering
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