Re: [Wien] hmsec.F:(.text+0x3057): undefined reference to `pzheevr_'

composer_xe_2013.1.117 => This is update 1 of the 2013 composer xe [ https://software.intel.com/en-us/articles/intel-fortran-composer-xe-2013-release-notes ]. The MKL 11.0 update 2 release notes [ https://software.intel.com/en-us/articles/intel-mkl-110-release-notes ] has: ScaLAPACK Updated

Re: [Wien] hmsec.F:(.text+0x3057): undefined reference to `pzheevr_'

A temperately solution what I see is: If I copy below files/modules from Wien2k_14 (not from Wien2k_16) into respective SRC dir and compiles I see not error or warning. Could you please confirm whether this is fine or I should not do this? If I should avoid this then I am waiting for your advice

[Wien] hmsec.F:(.text+0x3057): undefined reference to `pzheevr_'

Dear Prof. Peter, Below warning message is already mentioned in the mailing list some time ago and I tried all possibilities but I could not fix it. In one of the link you advised : "The attached hmsec.F for lapwso contains the old and new Scalapack routines. Add -Dold_scalapack to the parallel

Re: [Wien] LAPW2: semicore band-ranges too large

For sure the effective RKmax=2.37 is too small. You will have to go mpi-parallel. Otherwise, check your eigenvalues at the different k-points. With only C,N,H you can identify each eigenvalue and of course the low lying eigenvalues should change very little for different k-points ... On 09/2