Combine Splitted Band Structure Calculation?

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slavik

Combine Splitted Band Structure Calculation?

#1 Post by slavik » Wed Mar 21, 2007 6:27 pm

Dear VASP users!
Does anybody know if it is possible to combine OUTCAR’s files in one OUTCAR file from Band structure calculation for different interval along k-direction? My job was big, so I had to split my calculation for several smaller (for example, total k-direction 0-0.5, I spitted 0-0.1, 0.1-0.2, 0.2-0.3 … ), I want to plot the DOS and Band structure for whole interval 0-0.5.
Is there way, in general, how to combine small calculation in one result?
I found, that it is possible to do such job in lev00 for SIESTA.

Thank you in advance

Yaroslav
Last edited by slavik on Wed Mar 21, 2007 6:27 pm, edited 1 time in total.

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Combine Splitted Band Structure Calculation?

#2 Post by admin » Thu Mar 22, 2007 1:11 pm

yes of course, just save the EIGENVAL files of each run separately and combine them for plotting the band structure.
Last edited by admin on Thu Mar 22, 2007 1:11 pm, edited 1 time in total.

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