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ÓÖÊÇÒ»Ä꿪ѧ¼¾£¬ÓÖÓÐÖÚ¶àͯЬÈë¿ÓµÚÒ»ÐÔÔÀí¼ÆË㣬Òò´ËÓбØÒª·ÖÏíһϣ¬VASP´¦ÀíÄÜ´øµÄ£¬´¦Àí¹¦º¯£¬´¦Àí·ÑÃ×Ãæ¡¢´¦Àí̬Ãܶȵȵȸ÷Öֽű¾¡£ 1£©ÊÕ¼¯ÂÛ̳µÄ½Å±¾£¬Ö÷ÒªÊǺîÖù·æÀÏʦ±àдµÄ ¼ûÏÂÃæ¸½¼þ£¡ 2£©VTST¹ÙÍø×îнű¾ ¼ûÏÂÃæ¸½¼þ£¡ 3£©ÍõÀÏʦ±àдµÄvaspkitºó´¦ÀíÈí¼þ ÏÂÔØÁ´½Ó£ºhttp://sourceforge.net/projects/vaspkit/#opennewwindow Postprocessing tool for VASP. Basic features: 1, Convert POSCAR or CONTCAR to cif or xsf format; 2, Extract the data of DOS and Band (Open with origin or gunplot); 3, Extract Charge/Spin density (Open with VESTA ); 4, Linear optical properties. 5, and so on... 4£©Ò×ͯЬ±àдµÄqvaspºó´¦ÀíÈí¼þ ÏÂÔØÁ´½Ó£ºhttps://sourceforge.net/projects/qvasp/ This was written for VASP as a useful tools. by Yi,Wencai,the group of professor Liu Jingyao at Jiin University. Please contact me at yi.wencai@163.com if you have any question At first,How to install ? I sugggest you can use the command "sh install.sh" to install it. or you to add the follow command in your environment variable(like .bashrc or /etc/profile) for example: export qvasppath=/export/apps/qvasp ## modify it as the path in your servers export PATH=$qvasppath:$PATH export PATH=$qvasppath/vtstscripts:$PATH Then use command "qvasp -help" to get the useage. You need get my permission to copy it to others! |
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