Hi,
I guess you mean lapwso when you typed palwso.
when you run x lapwso -h you can see all possible allowed switches.
-dn is not allowed.
In a magnetic case lapwso couples (mixes) spin-up and dn, so both spins
are always considered.
A "better" switch would be -sp, just indicating spinpolarization, but
we opted for -up to indicate that the system in spinpolarized and when
you look into lapwso.def you will see both, vspup and dn is listed.
When you run x lapwso -dn the script neglects -dn and uses
case.vsp (i.e. a non-spinpolarized potential), which does not exist in a
spinpolarized calculation.
So there is no error (in the program).
Am 07.02.2024 um 11:16 schrieb susanta mohanta:
Dear Prof Blaha and wien2k users.
I am facing a
problem while plotting dos with so. For up spin, all the commands are
running but for dn spin
x palwso -dn
I am getting an error like
ERROR IN OPENING UNIT: 18
FILENAME:
CeMg_3.vsp
STATUS: old FORM:formatted
OPEN FAILED
0.008u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
N.B: For dn spin all the steps are also not visible in interactive
mode. I am using wien2k 23.1 version. In older versions, this problem
was not there. I have checked the .vsp files and present for both
spins. Any help in this regards would be appreciated.
with regards
Susanta
*Dr. Susanta Kumar Mohanta*
Assistant Professor in Physics
Dept. of Basic Sciences
Government College ofEngineering Kalahandi,
Bhwanipatna-766002, Odish
7328025509, 8249969717
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