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exciting changed the public information on the EXCITING project.
2009-04-25 09:21:58 UTC by exciting
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exciting changed the public information on the EXCITING project.
2009-03-24 11:31:15 UTC by exciting
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exciting changed the public information on the EXCITING project.
2009-03-24 11:31:14 UTC by exciting
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exciting changed the public information on the EXCITING project.
2009-03-24 11:31:12 UTC by exciting
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exciting changed the public information on the EXCITING project.
2009-03-24 11:31:10 UTC by exciting
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exciting changed the public information on the EXCITING project.
2009-03-24 11:31:08 UTC by exciting
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Hello everybody! Excuse me for may be an amateur question, but I need to know which exact models and equations are used in the Exciting code for performing different tasks. For example, I have performed 0,10,20 tasks (electronic DOS calculation), so how could I obtain the equations used in the calculation? I know there are a lot of them in the Exciting manual, but it's split to different...
2009-03-04 11:56:47 UTC by antonfil
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Thanks to Frederik for his highlights,
by setting:
bfieldc
0.0 .0. 10.0
i get a total magnetic moment of:
-0.2783699990E-19 0.1301609909E-19 -2.867197277
but after setting
reducebf
0.75
tho total magnetic moment decrease every iteration until it became very small:
here bellow, the MOMENT.OUT file for SCF cycle:
-0.2783699990E-19 0.1301609909E-19...
2009-02-03 13:07:07 UTC by makhlouf
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Thanks to Frederik for his highlights,
by setting:
bfieldc
0.0 .0. 10.0
i get a total magnetic moment of:
-0.2783699990E-19 0.1301609909E-19 -2.867197277
but after setting
reducebf
0.75
tho total magnetic moment decrease every iteration until it became very small:
here bellow, the MOMENT.OUT file for SCF cycle:
-0.2783699990E-19 0.1301609909E-19 -2.867197277...
2009-02-03 13:04:15 UTC by makhlouf
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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.But it is taking too much time (6 to 7 hours ) in wurtzite phase which didn't happen in zinc blende phase. So may i request you to please guide me what changes should i make in the input .in file given below.
tasks
0...
2009-02-02 08:47:24 UTC by poonamsharma4
