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ÔËÐÐÈÕÖ¾ÔÎÄ£º running on 16 nodes distr: one band on 2 nodes, 8 groups vasp.5.2.12 11Nov11 complex POSCAR found type information on POSCAR La Fe O POSCAR found : 3 types and 5 ions LDA part: xc-table for Pade appr. of Perdew found WAVECAR, reading the header WAVECAR: different cutoff or change in lattice found POSCAR, INCAR and KPOINTS ok, starting setup WARNING: small aliasing (wrap around) errors must be expected FFT: planning ...( 1 ) reading WAVECAR ERROR: while reading WAVECAR, plane wave coefficients changed 1634 4377 ¼ÆËãµÄÊÇÌåÏ࣬ËùÒÔKPOINTSÉèΪ6*6*6. ÒÔ¼°pbsÀïÊÇnodes=2:ppn=8¡£ |
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porominix
Òø³æ (СÓÐÃûÆø)
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2Â¥2014-03-21 15:09:37
emilyoyang
ľ³æ (ÕýʽдÊÖ)
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3Â¥2014-03-21 17:21:51
porominix
Òø³æ (СÓÐÃûÆø)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 1329.9
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- ºì»¨: 1
- Ìû×Ó: 70
- ÔÚÏß: 39.8Сʱ
- ³æºÅ: 1277733
- ×¢²á: 2011-04-25
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4Â¥2014-03-22 11:29:01
porominix
Òø³æ (СÓÐÃûÆø)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 1329.9
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- ºì»¨: 1
- Ìû×Ó: 70
- ÔÚÏß: 39.8Сʱ
- ³æºÅ: 1277733
- ×¢²á: 2011-04-25
- ÐÔ±ð: GG
- רҵ: ÖС¢Î÷·½ÌìÎÄѧʷ
5Â¥2014-03-22 12:57:17









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