X-Git-Url: https://hackdaworld.org/gitweb/?p=physik%2Fposic.git;a=blobdiff_plain;f=vasp_tools%2Fe_coh;fp=vasp_tools%2Fe_coh;h=f32283fd9f31c21b02422bd671dd12e495371882;hp=44adfd93b32f31536c7a1b09c1ff59f18deeecd5;hb=98df942a2412e6ace72ae221f2e967f24bba7108;hpb=a29f0d8f1217a53ac4e1b90e65d24394f7c8967f diff --git a/vasp_tools/e_coh b/vasp_tools/e_coh index 44adfd9..f32283f 100755 --- a/vasp_tools/e_coh +++ b/vasp_tools/e_coh @@ -61,7 +61,7 @@ free_si=`grep energy\ without $sifile | tail -1 | awk '{ print $8 }'` free_c=`grep energy\ without $cfile | tail -1 | awk '{ print $8 }'` echo " Si correction: $free_si eV, C correction: $free_c eV" - +#echo "-> $energy | $total | $sicnt | $ccnt | $free_si | $free_c <-" echo $energy $total | \ awk '{ print " total e: " $1 " eV, per atom: " $1/$2 " eV"}' echo "$energy $sicnt $ccnt $free_si $free_c" | \