[Pw_forum] SOC with Spin Polarization (UP and DOWN SPIN)

2017-01-26 Thread Mohammed Ghadiyali
Dear ALL, I have asked this question before but I 'm not getting a solution to my problem. I 'm doing SOC calculation on bilayer 2D tin, in the band structure I am getting band splitting, I suspect that band splitting is due to the UP and DOWN spin of the electron. For verifying I need to

Re: [Pw_forum] Regarding installation of Quantum Espresso

2017-01-26 Thread Giuseppe Mattioli
Dear Nipesh Dulal This mailing list does not work the way you seem to expect... Please follow the instructions reported in the user guide and report exactly what you have done and where it went wrong. It is assumed that you already have a decent minimal knowledge of compilers, libraries, etc.

[Pw_forum] Regarding installation of Quantum Espresso

2017-01-26 Thread nipesh dulal
Hi there, I am new user to MacBook Air. Therefore, I am finding it difficult to install Quantum Espresso. I am writing this email seeking help for the installation procedure. Looking forward to your response. Regards, Nipesh Dulal, St. Xavier’s College, Physics Council. Kathmandu, Nepal

[Pw_forum] Intact

2017-01-26 Thread nipesh dulal
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Re: [Pw_forum] ibrav=3 crystal axes

2017-01-26 Thread Mihalis Kavousanakis
thank you very much for your answer. are you explicitly using the space group and Wyckoff positions? and are you getting wrong positions? or just a funny set of alpha beta gamma angles? I used the crystal axes explicitly to reconstruct the primitive crystal from the output file only and I got