[Wien] running with Hubbard U

delamora delamora at unam.mx
Wed Jul 12 04:30:15 CEST 2023


I am running a complicated structure Gd_1.25 Sr_0.75 NiO_4
So I have the
struct file
then I initiate the calculation
then I run
init_orb -orb
So with this it should run correctly
so I put
nohup runsp -orb -p &
it stops at the second iteration, after lapw0;
-----
 LAPW0 END
grep: No existe correspondencia.
----- => grep: there is no correspondence
just when it starts orb;
----
mar 11 jul 2023 20:05:42 CST> (x) lapw0 -p
mar 11 jul 2023 20:06:00 CST> (x) orb -up -p
----

I am running the 23.2 version
the system has no inversion

Pablo

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