[Wien] Fwd: Error in SOC Calculation

[Paresh Chandra Rout]

---------- Forwarded message ----------
From: Paresh Chandra Rout <pareshchandra at iiserb.ac.in>
Date: Thu, Jul 9, 2015 at 2:27 PM
Subject: Error in SOC Calculation
To: wien at zeus.theochem.tuwien.ac.at


Dear all,
I am very new to WIEN2k . I was doing a spin-orbit calculation for a
transition metal oxide compound. I followed the procedure of spin-orbit
calculation from manual. I had run spin-orbit calculation followed by a
simply spin-polarized calculation. But I got the following error





*lapwso -p -c  running LAPWSO in parallel mode**LAPWSO crashed!.260u 1.712s
0:43.32 6.8%  0 0k 0 0io 0pf 0werror: command
/home/pcrout/wien2k/lapwsopara lapwso.def failedstop error*

But another thing here I had noticed that the first spin-polarized
calculation run in * lapw0_mpi , lapw1c_mpi, and  lapw2c_mpi *mode . Before
I was doing  spin polarized scf calculation for another system, the scf was
simply running in lapw0_mpi , lapw1_mpi, lapw2_mpi mode.
Can any body tell me what's going wrong ? What is the difference
between * lapw1c_mpi
and  lapw1_mpi *mode ?
Any help would be highly appreciated .

Kind Regards
Paresh Chandra Rout
Research Scholar
Indian Institute of Science education and Research, Bhopal
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