Help!!!

sunnyone · Post by **sunnyone** » Mon May 13, 2013 3:20 pm

Dear Forume,

I am trying to calculate the elastic constant for a semiconductor compound, but i got this error
( The eigenvector number1 has zero norm. )
Plz one can show me why i got this and here is my input file:

jzwanzig · Post by **jzwanzig** » Mon May 13, 2013 6:04 pm

I would suggest that you not put the relaxation in as part of the loop. I find it usually easier especially with cells of changing size, to do the optimization first, copy the optimized cell and coordinates into a new input file, and then compute with that.

By the way, please don't title your posts "Help", almost everyone who posts a question here wants "help", please use a more specific title.

sunnyone · Post by **sunnyone** » Tue May 14, 2013 2:08 pm

Dear jzwanzig,

Thank you very much for your help and am so sorry about the title i didn't know that bcoz am new here, actually i don't know how i can do that, can you please write for me an example or if you can just check my input and tell me where i do that.

Kind regards

jzwanzig · Post by **jzwanzig** » Tue May 14, 2013 2:22 pm

Please send me a direct e-mail to jzwanzig@gmail.com, we don't need to carry this back and forth on the forum.

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