Dear Wien users
Dear Prof BLAHA
How can i do a fat plots for a spin up/dn for my band structure with SO
coupling.
thinks
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Dear peter BLAHA
Dear WIEN users
i posted this question a few days a go but no answer ?
I runed ' ssh-keygen -t rsa ' and i left the pass phrase empty
I edited my. machine file
my pc contains 8 processors so
1: localhost
1: localhost
1: localhost
1: localhost
1: localhost
1: localhost
1:
Respected Prof. Blaha
can you please tell me how to plot the total DOS at the interface between
tow layers for the different atoms
thank you so mach
Tim.
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Dear Prof. Peter BALAHA
after running an scf calc i 'v got a negative value of force FGL009
for my supercell
can you tell me what does it mean in general
Best regards,
Tim
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Dear Stefaan
actually i mean if the total force in my structure is not zero that mean
there is a problem is n it
Best regards,
Tim
A component of a vector might be either positive or negative...
Stefaan
* after running an scf calc i 'v got a negative value of force FGL009
** for my supercell
**
Dear *Laurence Marks*
thank you very mach
Tim
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Dear Prof. Peter BALAHA
can you tell me what :
DUPxxx
DTOxxx
NUPxxx
NTOxxx
CUPxxx
CTOxxx
FCAxxx
FGLxxx
refers to
thank you.
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Dear Stefaan
thank you for your replay*
are there any reference other than the UG
thanks
*
See section 4.4 of the usersguide and/or explanatory sentences just
before these labels in the case.scf file.
Stefaan
* can you tell me what :
** DUPxxx
** DTOxxx
** NUPxxx
** NTOxxx
** CUPxxx
** CTOxxx
Dear *Tetyana Zayar
*please use the W2web user interface its more simples for every one*
*
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Respected Prof. Blaha,
I am running wien version 11.1 with operating system fedora 12, fortran
compiler PGI .
I am running this case (EP.struct , supercell) using this input
Title
P LATTICE,NONEQUIV.ATOMS:
8
MODE OF CALC=RELA
unit=ang
7.55269 7.55269 22.21380 90.0 90.0
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