[Pw_forum] DFT+U with static homogeneous finite electric field or Uniaxial tensile strain

2015-10-19 Thread Yusuf Zuntu
Dear developers, Thank you for your continues help. I want to know if DFT+U with static homogeneous finite electric field or Uniaxial tensile strain have been implemented in any of the QE version. If so, please guide me to any tutorial or examples links where such calculations have been perform

Re: [Pw_forum] DFT+U with static homogeneous finite electric field or Uniaxial tensile strain

2015-10-20 Thread Mostafa Youssef
Dear Yusuf, I'm not a developer but from my limited experience, I can tell that cell_dofree tag (the key to apply uniaxial strain) works well with DFT+U (With NC and USPP, I'm not sure about PAW). Finite electric field with DFT+U (NC and USPP) seems to work well too based on few tests I did

Re: [Pw_forum] DFT+U with static homogeneous finite electric field or Uniaxial tensile strain

2015-10-21 Thread Yusuf Zuntu
Dear Mostafa and Matteo, Thank you for your kind reply. Yusuf Zuntu ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum