[Wien] error in optimization

Muhammad Sajjad sajjadpu at gmail.com
Sun May 26 16:27:43 CEST 2013


Dear Gavin
Thank you for your guidance. I am sorry to say that I can not find the
relative solution or might be I am following your instruction in wrong way.
I am displaying the data that OPT.ino contains in my case

*TOT   11    (5:LDA, 13:PBE, 11:WC, 19:PBEsol, 28:mBJ, 29:revTPSS, 46:HTBS)*
*NR2V      IFFT      (R2V)*
*  48  48  72    1.00  1    min IFFT-parameters, enhancement factor, iprint*

According to the link
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-April/016784.html
how should I change this file.
With Regards
M. SAJJAD
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