[Wien] GMAX and LAPW0 problems

[Sergio Legoas]

Dear wien2k users:

I am trying to calculate a polymer system with a supercell with 2C + 2H
atoms. I am using RMT(C )=1.2 and RTM(H)=0.6. Also, the RKMAX=4 and the
GMAX=20. In the first iteration the lapw0 work fine because the file
*.clmsum is OK. However, at the second iteration, lapw0 crash because the
*.clmsum has wrong data in the final part: MIXED TOTAL CHARGE DENSITY IN
INTERSTITIAL NEW TOTAL CHARGE DENSITY ....

   MIXED TOTAL CHARGE DENSITY IN INTERSTITIAL   NEW TOTAL CHARGE DENSITY
   
 NUMBER OF PW 41638
       0    0    
0????????????????????????????????????????????????????????????
       0   -1    
0????????????????????????????????????????????????????????????
       0    0   
-1????????????????????????????????????????????????????????????
       0   -1   
-1????????????????????????????????????????????????????????????
       0   -2    
0????????????????????????????????????????????????????????????
       0   -2   
-1????????????????????????????????????????????????????????????

......

I check the file *.clmval and verified that all the data is only ZERO:
                TOTAL CHARGE DENSITY GENERATED BY
 PA1a                P     4.617389 19.275214 13.606034  781

   ATOM NUMBER=  1
   NUMBER OF LM 28


   CLM(R) FOR L  0   M= 0

    0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00
    0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00
    0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00
    0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00
    0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00

.......

The file *.clmcor is OK.

Please, could you help me to resolve this problem?

Thank you.

Sergio B. Legoas

Physics Institute
State University of Campinas
Campinas, SP
Brazil