If I alter the sequence of high symmetry poins along the path using interface it doesn't affect the sequence in input file.
9件のコメント
いいね!
9件のコメント
Satomichi Nishihara
2017年12月22日
thanks, Konstantin.
いいね!
kglukhov
2017年12月22日
Oh! Thanks!
My name is Dr. Konstantin Glukhov, affiliation Uzhgorod National University, Ukraine.
いいね!
Satomichi Nishihara
2017年12月22日
Thanks, I'll fix it too.
I want to note the contributions onto the release-note of the next version with your name.
Let me know your name and affiliation.
いいね!
kglukhov
2017年12月22日
You are welcome! :-)
One more thing. If I sweech "vebrosity = high" in input file, the optimization run failed to create .stress plot. I think it is because QE makes decomposition of stress tensor contributions in log file.
I know that it's not the bug, because the situation arises if one manualy changes the input, but I hope it can be fixed.
いいね!
Satomichi Nishihara
2017年12月21日
It's true.
You are great debugger, thanks !
I will fix hubbard_u, too.
いいね!
kglukhov
2017年12月21日
Not at all! :-)
Seems I found one more. Almost the same behaviour with hubbard_u(1,2,3) parameter. But this time I can change the U value in interface, not in file. If I change hubbard_u in file and click upload (up arrow), all these parameters become zero.
いいね!
Satomichi Nishihara
2017年12月21日
You are right !
Input file is not updated. I will fix it.
Thanks, again :-)
いいね!
kglukhov
2017年12月21日
Note the distinguish first three k-points in file and interface. Now if I click "reload" rounded arrow it doesn't change the input file.
いいね!
Satomichi Nishihara
2017年12月21日
I cannot reproduce the phenomenon.
Please let me see the screen-shot and the input files.
thanks, Konstantin.
Oh! Thanks!
My name is Dr. Konstantin Glukhov, affiliation Uzhgorod National University, Ukraine.
Thanks, I'll fix it too.
I want to note the contributions onto the release-note of the next version with your name.
Let me know your name and affiliation.
You are welcome! :-)
One more thing. If I sweech "vebrosity = high" in input file, the optimization run failed to create .stress plot. I think it is because QE makes decomposition of stress tensor contributions in log file.
I know that it's not the bug, because the situation arises if one manualy changes the input, but I hope it can be fixed.
It's true.
You are great debugger, thanks !
I will fix hubbard_u, too.
Not at all! :-)
Seems I found one more. Almost the same behaviour with hubbard_u(1,2,3) parameter. But this time I can change the U value in interface, not in file. If I change hubbard_u in file and click upload (up arrow), all these parameters become zero.
You are right !
Input file is not updated. I will fix it.
Thanks, again :-)
Note the distinguish first three k-points in file and interface. Now if I click "reload" rounded arrow it doesn't change the input file.
I cannot reproduce the phenomenon.
Please let me see the screen-shot and the input files.