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PSTRESS=$i
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echo $i $V>>SUMMARY.fcc
done
cat SUMMARY.fcc
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cp OUTCAR OUTCAR_$i
cp CONTCAR CONTCAR_$i
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calos818

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Originally posted by gavinliu7390 at 2009-12-1 19:50:
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cp OUTCAR OUTCAR_$i
cp CONTCAR CONTCAR_$i

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4Â¥2009-12-01 20:01:42
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Originally posted by calos818 at 2009-12-01 12:58:24:
ÎҵĽű¾ÈçÏ£¨¿´ºîÀÏʦ½Ì³ÌÉϵģ©
#! /bin/bash
BIN=/bin/vasp
#rm WAVECAR
for i in  550 600; do
cat >INCAR <<!
¡­¡­¡­¡­
PSTRESS=$i
¡­¡­¡­¡­
!
echo "P= $i" ; $BIN
V=`grep ...

calos ,ÄúºÃ£¡ÄÜ·ñ´«ÎÒÒ»·Ý¡°ºîÀÏʦ¼ÆËãìʵĽ̡̳±£¿hfdong@semi.ac.cn   
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