[Wien] Some minor issues in compiling WIEN2k_09.1 on IBM ....

[Juergen Spitaler]

Dear Prof. Blaha,
I found some minor issues when compiling WIEN2k on
an IBM system with AIX:

- SRC_2Doptimize: "setup2D.f", several error messages like
   "line 121.0: 1515-010 (S) String is missing a closing delimiter ..."
  => Can be fixed by changing in the respective lines "\" with "\\"

- SRC_2Doptimize: "arrows.f", several error messages like
   line 37.13: 1516-042 (S) Operand must be type LOGICAL.
  => Can be fixed by changing NEQV to NE in whole arrows.f

- SRC_mixer: Error in routine LimitDMIX.F, Line 81:
     "LimitDMIX.F", line 81.54: 1513-041 (S) Arguments of the wrong type
      were specified for the INTRINSIC procedure "max".
  => can be fixed by changing  in line 81"  if(memory .eq. 1)
qlimit1=max(qlimit1,0.015)"
     the last number "0.015" to "0.015d0"

 - SRC_trig: ERROR: "xyz2struct.f", line 30.15: 1516-044 (S) A
conversion from type LOGICAL is not permitted.
   Reason: In line 30, a variable "lattice" is declared as ".false.",
but "lattice" is never declared nor used anywhere
   =>  "lattice" in line 30 should most probably  be changed to "lattic"

Best wishes,
Juergen Spitaler

  

-- 
Dr. Jürgen Spitaler
Material Center Leoben and
Chair of Atomistic Modelling and Design of Materials, Leoben University
Franz-Josef-Straße 18    
8700 Leoben
Tel.: ++43 (0)3842 402 4404
E-Mail: juergen.spitaler at unileoben.ac.at