| ²é¿´: 2686 | »Ø¸´: 6 | ||
emilyoyangľ³æ (ÕýʽдÊÖ)
|
[ÇóÖú]
ERROR ROTDIA: Call to routine ZHEEV failed! Error code was 623 ÒÑÓÐ1È˲ÎÓë
|
|
´ó¼ÒºÃ£¬ ÎÒÔÚÓÃHSE06 ×ö½á¹¹ÓÅ»¯µÄʱºò£¬³öÏÖÁËÏÂÃæµÄ´íÎó£º ERROR ROTDIA: Call to routine ZHEEV failed! Error code was 623 ÓÐÈËÖªµÀÊÇʲôÔÒòÂ𣿠лл~ ÎÒµÄINCARÊDzÎÊýÈçÏ£º ALGO = All EDIFF = 1e-04 EDIFFG = -0.02 ENCUT = 520 HFSCREEN = 0.2 IBRION = 2 ISIF = 3 ISMEAR = 0 ISPIN = 2 LASPH = True LHFCALC = True LORBIT = 11 LREAL = Auto LWAVE = False NPAR = 16 NSW = 100 PREC = Accurate PRECFOCK = Fast SIGMA = 0.2 |
» ²ÂÄãϲ»¶
0703»¯Ñ§Çóµ÷¼Á
ÒѾÓÐ6È˻ظ´
Ò»Ö¾Ô¸ÖÐÄÏ´óѧ»¯Ñ§Ñ§Ë¶0703×Ü·Ö337Çóµ÷¼Á
ÒѾÓÐ6È˻ظ´
¿¼Ñл¯Ñ§308·ÖÇóµ÷¼Á
ÒѾÓÐ9È˻ظ´
Çóµ÷¼Á Ò»Ö¾Ô¸ ±¾¿Æ ±±¿Æ´ó »¯Ñ§ 343
ÒѾÓÐ4È˻ظ´
Ò»Ö¾Ô¸¼ªÁÖ´óѧ²ÄÁÏÓ뻯¹¤303·ÖÇóµ÷¼Á
ÒѾÓÐ3È˻ظ´
¸÷λÀÏʦÄúºÃ£º±¾È˳õÊÔ372·Ö
ÒѾÓÐ3È˻ظ´
BÇø¿¼Ñе÷¼Á
ÒѾÓÐ5È˻ظ´
284Çóµ÷¼Á
ÒѾÓÐ12È˻ظ´
Çóµ÷¼Á£¬Ò»Ö¾Ô¸:ÄϾ©º½¿Õº½Ìì´óѧ´óѧ £¬080500²ÄÁÏ¿ÆÑ§Ó빤³Ìѧ˶£¬×Ü·Ö289·Ö
ÒѾÓÐ6È˻ظ´
289²ÄÁÏÓ뻯¹¤£¨085600£©BÇøÇóµ÷¼Á
ÒѾÓÐ5È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
VASP×ÔÐý¹ìµÀñîºÏ
ÒѾÓÐ26È˻ظ´
Problem - nscf - c_bands: eigenvalues not converged
ÒѾÓÐ20È˻ظ´
VASP5.2±àÒë³É¹¦ºóÔËÐгö´í
ÒѾÓÐ14È˻ظ´
ÉîÛÚ³¬ËãÖÐÐÄvasp±àÒë¼°ÈÎÎñÌá½»ÎÊÌâ
ÒѾÓÐ25È˻ظ´
[ÇóÖú³É¹¦]VASP ¼ÆËã graphene µÄ´íÎó
ÒѾÓÐ15È˻ظ´
VASP±¨´í£ºVERY BAD NEWS!
ÒѾÓÐ5È˻ظ´
¡¾ÇóÖú¡¿ERROR WAVPRE_NOIO: Call to routine ZHEEV failed!
ÒѾÓÐ5È˻ظ´
¡¾ÇóÖú¡¿forrtl: error (78): Ôõô»ØÊ£¿
ÒѾÓÐ7È˻ظ´
Ò»´¨Ñ̲Ý
Ìú¸Ëľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 30 (СѧÉú)
- ½ð±Ò: 3173.1
- É¢½ð: 1222
- ºì»¨: 12
- Ìû×Ó: 337
- ÔÚÏß: 871.3Сʱ
- ³æºÅ: 1524551
- ×¢²á: 2011-12-05
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
2Â¥2015-06-27 09:14:37
dongbaojuan
ľ³æ (СÓÐÃûÆø)
- Ó¦Öú: 3 (Ó×¶ùÔ°)
- ½ð±Ò: 2364.6
- É¢½ð: 1100
- ºì»¨: 6
- Ìû×Ó: 253
- ÔÚÏß: 161.5Сʱ
- ³æºÅ: 1504764
- ×¢²á: 2011-11-22
- רҵ: ½ðÊô¹¦ÄܲÄÁÏ
3Â¥2015-06-27 10:09:31
S201405010
гæ (³õÈëÎÄ̳)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 95.1
- Ìû×Ó: 17
- ÔÚÏß: 14.1Сʱ
- ³æºÅ: 3561138
- ×¢²á: 2014-11-26
- ÐÔ±ð: MM
- רҵ: µç»¯Ñ§
4Â¥2015-07-21 16:37:13
xhzha
Ìú¸Ëľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 37 (СѧÉú)
- ½ð±Ò: 9454.6
- É¢½ð: 30
- ºì»¨: 7
- Ìû×Ó: 409
- ÔÚÏß: 577.7Сʱ
- ³æºÅ: 1101711
- ×¢²á: 2010-09-17
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔI:½á¹¹¡¢Á¦Ñ§ºÍ
5Â¥2015-07-21 23:41:54
emilyoyang
ľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 232 (´óѧÉú)
- ½ð±Ò: 4340.4
- ºì»¨: 42
- Ìû×Ó: 667
- ÔÚÏß: 189.9Сʱ
- ³æºÅ: 1630291
- ×¢²á: 2012-02-20
- ÐÔ±ð: MM
- רҵ: ÀíÂۺͼÆË㻯ѧ
|
Á½ÕßûÓÐÌ«´óµÄ²î±ð£¬Ö÷ÒªÊÇrange-separation parameter ²»Ò»Ñù£¬ÔÚvaspÖÐHSE03 (HFSCREEN=0.3) or HSE06 (HFSCREEN=0.2)¡£¾ßÌå¿ÉÒԲο¼Õâ¸öÀï http://cms.mpi.univie.ac.at/wiki ... _hybrid_functionals http://cms.mpi.univie.ac.at/wiki/index.php/HFSCREEN |
6Â¥2015-07-22 00:31:36
emilyoyang
ľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 232 (´óѧÉú)
- ½ð±Ò: 4340.4
- ºì»¨: 42
- Ìû×Ó: 667
- ÔÚÏß: 189.9Сʱ
- ³æºÅ: 1630291
- ×¢²á: 2012-02-20
- ÐÔ±ð: MM
- רҵ: ÀíÂۺͼÆË㻯ѧ
7Â¥2015-07-22 00:31:52













»Ø¸´´ËÂ¥
6