[Pw_forum] Raman spectra calculatio using QE

wumindt2 wumindt2 at zju.edu.cn
Wed Oct 26 22:36:00 CEST 2011


Dear All,

Is there anyone have done Raman spectra using QE?
I tried to run the SiH4 example which could be downloaded from the QE website.
The process i did is very simple, after scf calculation using the defalt sih4.scf.in file, i ran
the sih4.nm.in file using ph.x. 
But i got an error as "  cannot start from pw.x data file using Gamma-point tricks".

So what's wrong with my calculation? 
Thanks for any help!

Best regards,

Min WU
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