[Wien] problem in lapw1

B. Yanchitsky yan at im.imag.kiev.ua
Wed Apr 10 13:50:46 CEST 2013


Dear wien users and developers,

There is a strange problem in lapw1 that I am unable to resolve:
Error in LAPW1
  'LOPW' - Plane waves exhausted

This is a quite big structure containing 109 atoms, nonmagnetic calculation.
The structure was patched by patchsym and initialized by: init_lapw -b
The fortran compilers were:
1) ifort 13 + mkl
2) gfortran with blas and lapack from wien2k source tree.
wien2k version: WIEN2k_12.1 (Release 22/7/2012)
The structure file is provided through attachment.
Any ideas?

Regards,

Bogdan
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