[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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