[Pw_forum] pseudopotential

saman ghaderyan ghaderyan at gmail.com
Tue Jul 17 23:14:04 CEST 2007


thanks dear Ding
the experimental lattice parameter is about 10.2 ,
i test a lot of code but i can't find better result than this , when
the lattice parameter was nice
the result of testing (pseudo potential)was too bad , and phonon freq too
i change the orbital d to valance part but after one day just for
Gamma with cut of large ,the result was too bad (phonon freq) ,
can you help me
thanks again



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