Dear all,
with respect to the phase transition pressure,i have run the example BN in both the (zincblende & wurtzite) cases by varrying value of lattice constant.With many values of volume &energy i have run the file EOS through the path -home/exciting/exciting/src/eos & i
got the files HPPAI.OUT in both zincblende & wurtzite case.I have plotted a graph for phase tansition pressure but i am not getting correct value for phase transition which is 133 GPa.
The value i am getting is 94 GPa. So please tell me what changes should i make in .in files to get the correct value.
Regards & Thanks
If you would like to refer to this comment somewhere else in this project, copy and paste the following link:
Dear all,
with respect to the phase transition pressure,i have run the example BN in both the (zincblende & wurtzite) cases by varrying value of lattice constant.With many values of volume &energy i have run the file EOS through the path -home/exciting/exciting/src/eos & i
got the files HPPAI.OUT in both zincblende & wurtzite case.I have plotted a graph for phase tansition pressure but i am not getting correct value for phase transition which is 133 GPa.
The value i am getting is 94 GPa. So please tell me what changes should i make in .in files to get the correct value.
Regards & Thanks
If you would like to refer to this comment somewhere else in this project, copy and paste the following link:
Dear all,
with respect to the phase transition pressure,i have run the example BN in both the (zincblende & wurtzite) cases by varrying value of lattice constant.With many values of volume &energy i have run the file EOS through the path -home/exciting/exciting/src/eos & i
got the files HPPAI.OUT in both zincblende & wurtzite case.I have plotted a graph for phase tansition pressure but i am not getting correct value for phase transition which is 133 GPa.
The value i am getting is 94 GPa. So please tell me what changes should i make in .in files to get the correct value.
Regards & Thanks
Dear all,
with respect to the phase transition pressure,i have run the example BN in both the (zincblende & wurtzite) cases by varrying value of lattice constant.With many values of volume &energy i have run the file EOS through the path -home/exciting/exciting/src/eos & i
got the files HPPAI.OUT in both zincblende & wurtzite case.I have plotted a graph for phase tansition pressure but i am not getting correct value for phase transition which is 133 GPa.
The value i am getting is 94 GPa. So please tell me what changes should i make in .in files to get the correct value.
Regards & Thanks