Dear Peter and Wien2k users, It might be of interest to you. On Mac Pro Workstation, when we tried the command run_lapw -fc 1 -p
(in relation to the minimization of internal parameters), it came out the following error LAPW0 END (standard_in) 1: illegal character: T (standard_in) 1: illegal character: O (standard_in) 1: illegal character: R (standard_in) 1: illegal character: P (standard_in) 1: illegal character: W (standard_in) 2: parse error (standard_in) 1: parse error (standard_in) 1: parse error (standard_in) 1: parse error LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END We noticed there is a file case.inM involved in the "-fc" section of run_lapw script file while ($iatom <= $natom) #cycle over all atoms set itest=$iatom @ itest ++ testinput $file.inM cont_force_test set atest=`head -$itest $file.inM |tail -1` set itest=`echo " $atest[1] + $atest[2] + $atest[3]"|bc` if ( $itest == '0' ) goto skipforce cont_force_test: if ($iatom <= 9) then set test = (`$bin/testconv -p :FOR00$iatom -c $fcut -f test_forces`) else if ($iatom <= 99) then set test = (`$bin/testconv -p :FOR0$iatom -c $fcut -f test_forces`) else set test = (`$bin/testconv -p :FOR$iatom -c $fcut -f test_forces`) endif if !($test[1]) set ftest[1] = 0 set ftest[2] = $test[2] set ftest = ($ftest $test[3] $test[4]) skipforce: @ iatom ++ end In the same working directory, there is another file case.inm existing for a different purpose. Therefore, we suspect that these errors might be related to the fact that Mac OS X has no differentiation between the lower and upper case in file naming. Please let me know if you can a different understanding. Regards, -- ############################### Jian-Xin Zhu, Ph.D Theoretical Division, MS B262 Los Alamos National Laboratory Los Alamos, New Mexico 87545 Phone: (505) 667 2363 Fax: (505) 665 4063 Email (main): jxzhu at lanl.gov Email (backup): physjxzhu at gmail.com URL: http://theory.lanl.gov ###############################