Hi all,
Is it possible to change the dimesnsions of a supercell along two axes, say, [100] and [010] and allow the the [001] only to relax??
I want to study the effects of strain on the electronic properties of Si, there are many reported works in the literature that emplyed VASP to do the above task, but I cant figure out how!!!
I'ld really appreciate your help,
Lexa
Biaxial Strain
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metosa
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Biaxial Strain
You should write some bash scripts for that purpose.
Last edited by metosa on Tue Apr 12, 2011 1:23 pm, edited 1 time in total.