[Wien] Error in Lapw1 . Need Help

qwef fwefwe wonder25w at yahoo.com
Sat May 5 12:59:39 CEST 2012


Dear and Respected Wien2k Users

I am using mBJ-GGA for my material . Kindly look at the error in Lapw1 and help me out .Thank you all


Error in LAPW1
'SELECT' - no energy limits found for L= 0 
'SELECT' - E-bottom -200.00000   E-top -200.00000 



lapw1    	(01:54:19) 19.810u 0.391s 0:20.38 99.1%	0+0k 0+4712io 0pf+0w
  0.137225760363726     
  0.327645647739610      -0.518725469212405      tauwrong=
 int:rho,tauw,grho,g2rho  0.164240579662098       0.163406130664494     
  0.137225760363726     
  0.327645647739610      -0.518725469212405      tauwrong=
 int:rho,tauw,grho,g2rho  0.164240579662098       0.163406130664494     
  0.142892491614171     
  0.326760981969927      -0.511625126996716      tauwrong=
 int:rho,tauw,grho,g2rho  0.165933711852180       0.160866556509427     
  0.142892491614171     
  0.326760981969927      -0.511625126996716      tauwrong=
 int:rho,tauw,grho,g2rho  0.165933711852180       0.160866556509427     
  0.168931665733751     
  0.298687270252991      -0.121901018041424      tauwrong=
 int:rho,tauw,grho,g2rho  0.130781536677752       0.170540291232026     
  0.168931665733751     
  0.298687270252991      -0.121901018041424      tauwrong=
 int:rho,tauw,grho,g2rho  0.130781536677752       0.170540291232026     
 -3.224945352354070E-003
  6.686042114493869E-004 -2.937908242106572E-003 tauwrong=
 int:rho,tauw,grho,g2rho  6.577533799614926E-003  1.699085117563468E-005
 -3.224945352354070E-003
  6.686042114493869E-004 -2.937908242106572E-003 tauwrong=
 int:rho,tauw,grho,g2rho  6.577533799614926E-003  1.699085117563468E-005
 -6.075386356953882E-003
  0.000000000000000E+000 -8.726802882126319E-003 tauwrong=
 int:rho,tauw,grho,g2rho  6.603190775593834E-003  0.000000000000000E+000
 -6.075386356953882E-003
  0.000000000000000E+000 -8.726802882126319E-003 tauwrong=
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