#!/bin/bash

echo making Tn
for i in run* ; do
    T=`cat $i/Trun`
    Tn=`echo $T | awk '{printf("T=%04d\n",$1)}'`
    if [[ ! -e $Tn ]]; then mkdir $Tn; fi
    cp $i/Trun $Tn
    if [[ -e $i/Vrun ]]; then cp $i/Vrun $Tn; fi
done

echo copying CONTCAR XDATCAR and output. making Tvst and Fvst
for i in run* ; do
    cd $i
    for j in OUTCAR.* ; do ext=${j#*.}
        Tn=`awk '($1 == "TEBEG"){printf("T=%04d", $3)}' $j`
	cp -n -p CONTCAR.$ext XDATCAR.$ext output.$ext ../$Tn
	cat `ls -rt output.md*` | grep T= | awk '{print NR, $3}' > Tvst.dat
	cat `ls -rt output.md*` | grep F= | awk '{print NR, $7}' > Fvst.dat
    done
    cp POSCAR ../$Tn
    echo -n `pwd`" : "; cd -
done

for i in T=* ; do
    cd $i
    cat `ls -rt output.md*` | grep F= | awk '{print NR, $7}' > Fvst.dat
    cd -
done

echo Done
