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°²×°ÍêATATÖ®ºó£¬ÔÚÄ¿±êĿ¼ÏÂÖ´ÐÐÃüÁrunstruct_vasp -nr£¬ÌáʾÕÒ²»µ½Êƺ¯ÊýÎļþ£º gzip: /usr/local/lib/pot_lda/0.000000000/POTCAR.Z: No such file or directory gzip: /usr/local/lib/pot_lda/0.000000,0.000000/POTCAR.Z: No such file or directory gzip: /usr/local/lib/pot_lda/0.000000,/POTCAR.Z: No such file or directory gzip: /usr/local/lib/pot_lda/0.000000,0.125000/POTCAR.Z: No such file or directory gzip: /usr/local/lib/pot_lda/0.000000,/POTCAR.Z: No such file or directory gzip: /usr/local/lib/pot_lda/0.000000,0.250000/POTCAR.Z: No such file or directory gzip: /usr/local/lib/pot_lda/0.000000,/POTCAR.Z: No such file or directory gzip: /usr/local/lib/pot_lda/0.000000,0.375000/POTCAR.Z: No such file or directory gzip: /usr/local/lib/pot_lda/0.000000,/POTCAR.Z: No such file or directory gzip: /usr/local/lib/pot_lda/0.000000,0.500000/POTCAR.Z: No such file or directory gzip: /usr/local/lib/pot_lda/0.000000,/POTCAR.Z: No such file or directory gzip: /usr/local/lib/pot_lda/0.000000,1.000000/POTCAR.Z: No such file or directory gzip: /usr/local/lib/pot_lda/1.000000000/POTCAR.Z: No such file or directory gzip: /usr/local/lib/pot_lda/end/POTCAR.Z: No such file or directory È»ºóÐÞ¸Ä~/bin/ezvaspµÄÊÆº¯Êý·¾¶£º Ô #!/bin/csh #enter name of vasp executable here set VASPCMD="vasp" #enter the directories containing the pseudopotentials here set POTLDA="/usr/local/lib/paw_lda" set POTPBE="/usr/local/lib/paw_pbe" set POTPAWGGA="/usr/local/lib/paw_pbe" set POTPAWLDA="/usr/local/lib/paw_lda" set POTPAWPBE="/usr/local/lib/paw_pbe" °ÑÊÆº¯Êýpaw_lda¡¢paw_pbe¿½±´µ½/HOME/psupotential/Ŀ¼Ï£¬È»ºóÐÞ¸ÄezvaspÖеÄÊÆº¯Êý·¾¶Îª£º #!/bin/csh #enter name of vasp executable here set VASPCMD="vasp" #enter the directories containing the pseudopotentials here set POTLDA="/HOME/psupotential/paw_lda" set POTPBE="/HOME/psupotential/paw_pbe" set POTPAWGGA="/HOME/psupotential/paw_pbe" set POTPAWLDA="/HOME/psupotential/paw_lda" set POTPAWPBE="/HOME/psupotential/paw_pbe" %%%%±£´æ²¢Ö´ÐÐÃüÁrunstruct_vasp -nr µ«»¹ÊÇÌáʾÕÒ²»µ½Êƺ¯ÊýÎļþ: gzip: /usr/local/lib/pot_lda/0.000000000/POTCAR.Z: No such file or directory gzip: /usr/local/lib/pot_lda/0.000000,0.000000/POTCAR.Z: No such file or directory gzip: /usr/local/lib/pot_lda/0.000000,/POTCAR.Z: No such file or directory gzip: /usr/local/lib/pot_lda/0.000000,0.125000/POTCAR.Z: No such file or directory gzip: /usr/local/lib/pot_lda/0.000000,/POTCAR.Z: No such file or directory gzip: /usr/local/lib/pot_lda/0.000000,0.250000/POTCAR.Z: No such file or directory gzip: /usr/local/lib/pot_lda/0.000000,/POTCAR.Z: No such file or directory gzip: /usr/local/lib/pot_lda/0.000000,0.375000/POTCAR.Z: No such file or directory gzip: /usr/local/lib/pot_lda/0.000000,/POTCAR.Z: No such file or directory gzip: /usr/local/lib/pot_lda/0.000000,0.500000/POTCAR.Z: No such file or directory gzip: /usr/local/lib/pot_lda/0.000000,/POTCAR.Z: No such file or directory gzip: /usr/local/lib/pot_lda/0.000000,1.000000/POTCAR.Z: No such file or directory gzip: /usr/local/lib/pot_lda/1.000000000/POTCAR.Z: No such file or directory gzip: /usr/local/lib/pot_lda/end/POTCAR.Z: No such file or directory |
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