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qasd(½ð±Ò+1,VIP+0):xiexie~ 12-7 19:55
ghzhong(½ð±Ò+1): 2010-05-21 02:13:41
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ghzhong(½ð±Ò+2):лл²ÎÓë
qasd(½ð±Ò+1,VIP+0):xiexie~ 12-7 19:55
ghzhong(½ð±Ò+1): 2010-05-21 02:13:50
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ghzhong(½ð±Ò+1): 2010-05-21 02:14:27
1£º¼ÆËã·Ç¹²ÐÔ´ÅÐÔ¼ÆË㣬Ê×ÏÈÒªÖØÐ±àÒëÏ£֣Á£Ó£Ð¡£½«MakefileÀïµÄ-DNGXhalf ºÍ -DNGZhalfÈ¥µô¡£

2£º add the following lines to INCAR
LNONCOLLINEAR=.True.
LSORBIT=.True.
SAXIS = # please give the spin quantization axis here, like 0 0 1 for the z-axis)
MAGMOM= # please give a triplet of numbers for each atom here, and please have a look at the manual (chapter non-collinear calculations and spin-orbit tag) on how the direction of the magnetic moments has to be defined with respect to the spin-quantization axis)
LORBMOM=.True.
ISYM= -1

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