Unknown Unknown Unknown
libc-2.24.so 2B65F6AED2B1 __libc_start_main Unknown Unknown
lapw2c 004036AA Unknown Unknown Unknown
Thanks in advance.
---
Dr. Mostefa DJERMOUNI
Laboratoire
/libmkl_lapack95_ilp64.a -Wl,--start-group
$(MKLROOT)/lib/intel64/libmkl_intel_ilp64.a
$(MKLROOT)/lib/intel64/libmkl_intel_thread.a
$(MKLROOT)/lib/intel64/libmkl_core.a -Wl,--end-group -liomp5 -lpthread -lm -ldl
Thanks in advance.
---
Dr. Mostefa DJERMOUNI
Dear Oleg Rubel
I need a structural fils (PbTiO3.struct) of Tutorial_3 in wien2k workshop (for
equilibrium and strained tetragonal).
thank you in advance. ---
Mostefa DJERMOUNI
Laboratoire de Physique Computationnelle des Matériaux -LPCM
.
---
Mostefa DJERMOUNI
Modeling and Simulation in Materials Science Laboratory
University of Sidi Bel-Abbes
22000 Sidi Bel-Abbes, Algeria
Tel: +213 795 626 105
---
lambda0.berrypi
Description
spontaneous polarization ? whith LSDA+U and
antiferromagnetic state (AFM-C) or LSDA and Non-Mgnetic state (NM).
Cordially
---
Mostefa DJERMOUNI
Modeling and Simulation in Materials Science Laboratory
University of Sidi Bel-Abbes
22000 Sidi Bel-Abbes
.
---
Mostefa DJERMOUNI
Modeling and Simulation in Materials Science Laboratory
University of Sidi Bel-Abbes
22000 Sidi Bel-Abbes, Algeria
Tel: +213 795 626 105
---
BiCoO3.struct
Description
.
---
Mostefa DJERMOUNI
Modeling and Simulation in Materials Science Laboratory
University of Sidi Bel-Abbes
22000 Sidi Bel-Abbes, Algeria
Tel: +213 795 626 105
---
BiCoO3.struct
Description
import OrderedDict as orderedDict
ImportError: cannot import name OrderedDict
Note: I have Python2.6
Thanks in advence?
---
Mostefa DJERMOUNI
Modeling and Simulation in Materials Science Laboratory
University of Sidi Bel-Abbes
22000 Sidi Bel-Abbes
---
Mostefa DJERMOUNI
Modeling and Simulation in Materials Science Laboratory
University of Sidi Bel-Abbes
22000 Sidi Bel-Abbes, Algeria
Tel: +213 795 626 105
---
-- next part --
An HTML attachment
Dear Prof.?Stefaan Cottenier,
Thank you so much Professor for your response, I appreciate it a lot.
I will do my FSM-calculation without changing in case.inst (with default
spin-polarized case)???
Best regards.
?
---
Mostefa DJERMOUNI
Modeling
)?
If your answer is Co+3, How can I do this with 1 electron more?
Best regards.
?
---
Mostefa DJERMOUNI
Modeling and Simulation in Materials Science Laboratory
University of Sidi Bel-Abbes
22000 Sidi Bel-Abbes, Algeria
Tel: +213 795 626 105
electron more?
Best regards.
?
---
Mostefa DJERMOUNI
Modeling and Simulation in Materials Science Laboratory
University of Sidi Bel-Abbes
22000 Sidi Bel-Abbes, Algeria
Tel: +213 795 626 105
for the inconvenience this may have caused.
Best regards.
?
---
Mostefa DJERMOUNI
Modeling and Simulation in Materials Science Laboratory
University of Sidi Bel-Abbes
22000 Sidi Bel-Abbes, Algeria
Tel: +213 795 626 105
for the inconvenience this may have caused.
Best regards.
?
---
Mostefa DJERMOUNI
Modeling and Simulation in Materials Science Laboratory
University of Sidi Bel-Abbes
22000 Sidi Bel-Abbes, Algeria
Tel: +213 795 626 105
After reading your response, I guess that I have work with 5+2(HS), 4+3(IS) and
3.5+3.5(LS).
Looking forward to your response.
Best regards.
---
Mostefa DJERMOUNI
Modeling and Simulation in Materials Science Laboratory
University of Sidi Bel-Abbes
.
---
Mostefa DJERMOUNI
Modeling and Simulation in Materials Science Laboratory
University of Sidi Bel-Abbes
22000 Sidi Bel-Abbes, Algeria
Tel: +213 795 626 105
---
-- next part --
An HTML
.
---
Mostefa DJERMOUNI
Modeling and Simulation in Materials Science Laboratory
University of Sidi Bel-Abbes
22000 Sidi Bel-Abbes, Algeria
Tel: +213 795 626 105
---
Dear Wien2k Users,
I
,-4,0.0 N
6,-1,1.0 N
6,-1,1.0 N
O
He 3
2,-1,1.0 N
2,-1,1.0 N
2, 1,1.0 N
2, 1,1.0 N
2,-2,2.0 N
2,-2,0.0 N
END of input
(instgen_lapw)
What shall I do to fix this problem ?
Thanks in advance
---
Mostefa DJERMOUNI
,-4,0.0 N
6,-1,1.0 N
6,-1,1.0 N
O
He 3
2,-1,1.0 N
2,-1,1.0 N
2, 1,1.0 N
2, 1,1.0 N
2,-2,2.0 N
2,-2,0.0 N
END of input (instgen_lapw)
What shall I do to fix this problem ?
Thanks in advance
---
Mostefa DJERMOUNI
Modeling
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