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= -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120505/492bcf9b/attachment.htm>