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cjlts銀蟲 (小有名氣)
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[求助]
侯博士的vasp教程MD運行出錯 已有1人參與
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錯誤: Error reading KPOINTS file the error occured at line: 6 照著輸?shù)模募缦拢?br /> INCAR: SYSTEM=H2O-MD PREC=Normal ENCUT=400 ISMEAR=0;SIGMA=0.1 IBRION=0 NSW=100 POTIM=1.0 SMASS=-3 TEBEG=2000 TEEND=2000 KPOINTS: Gamma-point only 0 rec 1 1 1 0 0 0 POSCAR: H2O 0.52918 12 0 0 0 12 0 0 0 12 1 2 cart 0.00 0.00 0.00 1.10 -1.43 0.00 1,10 1.43 0.00 |
至尊木蟲 (知名作家)
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http://cms.mpi.univie.ac.at/vasp ... ?f=4&t=5898 Take out the space between rec and 0 0 0 ! gamma and it should run fine, the error is because there should not be a space here 0 0 0 |
新蟲 (初入文壇)
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