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ustbwgs

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[½»Á÷] ¡¾ÆäËû¡¿VASPÔËÐгöÏÖÕâÑùµÄ´íÎóÌáʾ£¬ÕâÊÇʲôԭÒòÄØ

running on    2 nodes
distr:  one band on    1 nodes,    2 groups
vasp.5.2.2 15Apr09 complex
POSCAR found :  1 types and  128 ions

-----------------------------------------------------------------------------
|                                                                             |
|  ADVICE TO THIS USER RUNNING 'VASP/VAMP'   (HEAR YOUR MASTER'S VOICE ...):  |
|                                                                             |
|      You have a (more or less) 'large supercell' and for larger cells       |
|      it might be more efficient to use real space projection operators      |
|      So try LREAL= Auto  in the INCAR   file.                               |
|      Mind: If you want to do a very accurate calculations keep the          |
|      reciprocal projection scheme          (i.e. LREAL=.FALSE.)             |
|                                                                             |
-----------------------------------------------------------------------------

LDA part: xc-table for Ceperly-Alder, standard interpolation


VERY BAD NEWS! internal error in subroutine LATTYP:
Cellvolume is zero !      -3


VERY BAD NEWS! internal error in subroutine LATTYP:
Cellvolume is zero !      -3

[ Last edited by ustbwgs on 2010-12-20 at 10:18 ]
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bingmou

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ellsaking(½ð±Ò+1):лл»ØÌû½»Á÷~ 2010-12-20 22:07:55
ustbwgs(½ð±Ò+2): 2010-12-22 10:07:19
ÄãÊÔÊÔÔÚINCARÀïÃæ¼ÓÈëLREAL=Auto
2Â¥2010-12-20 21:57:11
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huangguiyang

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zzy870720z(½ð±Ò+2):ллָ½Ì 2010-12-21 08:19:03
ustbwgs(½ð±Ò+3): 2010-12-22 10:07:10
µÚÒ»¸öwarning¾Í°´Ëü˵µÄ¸Ä³ÉLREAL=Auto¼´¿É¡£

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ustbwgs

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ÒýÓûØÌû:
Originally posted by bingmou at 2010-12-20 21:57:11:
ÄãÊÔÊÔÔÚINCARÀïÃæ¼ÓÈëLREAL=Auto

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sunyang1988(½ð±Ò+1):лл½»Á÷ 2010-12-23 19:20:03
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