Project: 7.1 Fe ferromagnetism and spin polarized DOS | Quantum Espresso Tutorial 2019

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QuantumNerd

QuantumNerd

Күн бұрын

Пікірлер: 10
@romanpunk2396
@romanpunk2396 10 ай бұрын
what if there are more than one ferromagetic atoms,starting magnetisation shall be ?
@Pankajkumar-pd1cy
@Pankajkumar-pd1cy 2 жыл бұрын
Sir, when i plot this, with same input data, upspin DOS is plotted same but downspin Dos is not plotted.
@saidoukahou8825
@saidoukahou8825 5 жыл бұрын
great , but i want ask you if we have taken the value -0.5 for starting magnetization You will get the same curve of density or no thank you in advance
@shivamnitinkajale2662
@shivamnitinkajale2662 4 жыл бұрын
Thank you making this series. It have been very helpful for me. Can you please give some directions on how to get spin-polarised band structures for ferromagnets?
@muhammadsherazkhan5440
@muhammadsherazkhan5440 3 жыл бұрын
Hello bro I have a problem in spin polarized DOS calculation. when i finished the calculation of spin-DOS, then dos.dat file show dos(down) and dos(up). but dos(down) is also positive, it should be negative. in my case spin-up dos and spin-down dos both are positive in dos.dat file. please help me
@Pankajkumar-pd1cy
@Pankajkumar-pd1cy 2 жыл бұрын
Same problem
@nitink9879
@nitink9879 Жыл бұрын
Can we calculate spin unpolarized DOS from spin polarized DOS?
@hb8540
@hb8540 5 жыл бұрын
Hello, thank you, how about the files in the github ?
@muhammadsherazkhan5440
@muhammadsherazkhan5440 3 жыл бұрын
Hello guys. I have a problem in spin polarized DOS calculation. when i finished the calculation of spin-DOS, then dos.dat file show dos(down) and dos(up). but dos(down) is also positive, it should be negative. in my case spin-up dos and spin-down dos both are positive in dos.dat file. please help me
@JohMeus
@JohMeus 3 жыл бұрын
Hey, as you can see at 10:14 he is also flipping the positive spin-down values by using -$3 when plotting the data. Hope that helps
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