[Wien] How to save time after modified structure?

[Donghui Guo]

Dear all,

I have calculated a slab and it took 50 hours to converge. Now, I want to add a layer of H on the surface of this slab, how could I use/refer to the converged density so that I can save some time?
I found a hint from usersguide as following, but as a beginner, I cannot take it and don't know how to accomplish it.
   "If you have a previous scf-calculation and changed lattice parameters or positions (volume optimization or internal positions minimization), we recommend to use -renorm to renormalize the density prior to the first iteration. "-usersguide P54.

Thank you!

Best regards, 
Yours, 
Donghui Guo
2008-10-20


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Donghui Guo 
Catalysis Research Center (CRC)
Hokkaido University
21-10 Kita, Sapporo 001-0021
Japan
dhguo at cat.hokudai.ac.jp
TEL: +81-11-706 9114 (office)
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