still having problems i will submit you a complet report and include the
calculation with orb flag only, where aparently orb program is not executed
after lapw0 (when you check the status of scf process) but the scf convergence
is obtained.
Sincerely
Cesar
El 24/02/2012, a las 15:41
always
after lapw0, and lapw1 has orb flag active during these calculations.
I m thinking to recompile all again and see if it is fixed. If not fixed i will
submit you full report.
Cesar
El 24/02/2012, a las 20:46, Peter Blaha pblaha at theochem.tuwien.ac.at
escribi?:
Could it be that you do
Dear all,
Maybe someone can help me with this problem I seems to have with the
command qrsh.
I'am not sure what it is going on with some wien2k calculations in one
node of 64 cpus of my cluster. The problem is related with the process
of coping *.def* files to my working directory when
Hi,
I'm having a problem to get WIEN2k_16 installed.
I can compile wien2k_14.2 perfectly but wien2k_16 is impossible (LIBXC
and ELPA will not be included for now).
The problem seems related with mpi versions for lapw1 and lapwso :
seclr4.o: In function `seclr4_':
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