[Pw_forum] Phonon frequency calculation

Weyl Fang fwshuchao111 at gmail.com
Tue Jun 1 11:14:26 CEST 2010

Dear all,
When I used the QE 4.1.2 to calculate the phonon frequency of the CO
adsorbed on the TiO2 surface, I came with some problem. When I finished the
self-consistent calculation, I continued to run the ph.x. But there is some
problem with the calculation, the program stopped.
The error message is "third order derivatives not implemented with GGA".
Does this message mean I can't use GGA to calculate the phonon frequency or
others meaning?
Can anyone point me into the right direction? 
Best wishes

Graduate student in Chemical Engineering
State Key Laboratory of Materials-oriented Chemical Engineering
College of Chemistry and Chemical Engineering
Nanjing University of Technology, 210009, Nanjing, Jiangsu, China
Email: fwshuchao111 at gmail.com
Office: Room A705, Technical Innovation Building, Xinmofan Road 5#, Nanjing,
Jiangsu, China  
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