Dear Sir

     When I tried to calculate the phonon dispersion about a supercell, I can 
finished the scf calculation and phonon calculation , but after I got the 
interatomic force constant, I found I can not use matdyn.x to get the phonon 
frequency, and when I tried to calculate some special point's phonon frequency 
with ph.x, it didn't converge in 100 steps.
     The warning message is like this:

     At line 658 of file matdyn.f90 (unit = 1, file = 'cr04.fc')
      Fortran runtime error: Bad real number in item 8 of list input

     Does anyone have hint about this problem?


Chengyang Li
WMU

Reply via email to