[Pw_forum] QE capabilities Inquiry

chad mckee chadm_ at yahoo.com
Thu Jun 5 17:35:49 CEST 2014


Hello,

I’m interested in computing anharmonic corrections to hydrogen
stretching frequencies on various transition metal oxide surfaces, and have been looking around for software that will do this.  Can anyone tell me if the QE software
suite is capable of performing such calculations?
 
Thanks,

Chad
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