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Error IERR=5 in band structures calculation spin polarized

Last post by ccccc « Fri May 03, 2013 11:51 am
Replies: 2
by jfjobidon » Tue Apr 16, 2013 10:51 am

2 Replies

8800 Views

Last post by ccccc
Fri May 03, 2013 11:51 am
Convergence problems on HCP and BCC primitive unit cells when number of cores > 1

Last post by juhL « Thu May 02, 2013 4:07 pm
Replies: 2
by rbgetman » Tue Dec 20, 2011 9:31 pm

2 Replies

3202 Views

Last post by juhL
Thu May 02, 2013 4:07 pm
Limit in ENMAX for parallel simulations

Last post by peter9091 « Thu May 02, 2013 6:59 am
Replies: 4
by ivasan » Wed Jan 30, 2013 8:47 pm

4 Replies

4154 Views

Last post by peter9091
Thu May 02, 2013 6:59 am
centralize cluster in poscar file

Last post by shyam « Mon Apr 29, 2013 11:16 am
Replies: 4
by shyam » Thu Apr 18, 2013 8:50 am

4 Replies

3069 Views

Last post by shyam
Mon Apr 29, 2013 11:16 am
Problem with I_CONSTR flag (VASP 5.2.11)

Last post by nulakani « Wed Apr 17, 2013 11:22 am
Replies: 1
by olson139 » Fri Dec 07, 2012 10:13 pm

1 Replies

2110 Views

Last post by nulakani
Wed Apr 17, 2013 11:22 am
2 errors when doing HSE calculation

Last post by alirezaa66 « Tue Apr 16, 2013 8:22 pm
Replies: 2
by alirezaa66 » Tue Apr 02, 2013 2:30 am

2 Replies

3779 Views

Last post by alirezaa66
Tue Apr 16, 2013 8:22 pm
PEAD routines and k-mesh symmetry

Last post by hipertrofia « Tue Apr 09, 2013 1:23 am
Replies: 1
by hipertrofia » Mon Apr 08, 2013 5:18 pm

1 Replies

2394 Views

Last post by hipertrofia
Tue Apr 09, 2013 1:23 am
fermi energy level below highest-occupied band !!!

Last post by admin « Mon Apr 08, 2013 6:20 pm
Replies: 3
by vaspGG » Fri Mar 29, 2013 10:18 am

3 Replies

4610 Views

Last post by admin
Mon Apr 08, 2013 6:20 pm
DOS in noncollinear calculation?

Last post by yywang « Mon Apr 01, 2013 6:40 am
Replies: 10
by Veronika » Mon Oct 24, 2005 7:52 am

10 Replies

14892 Views

Last post by yywang
Mon Apr 01, 2013 6:40 am
Errors with access to INCAR, CHGCAR and WAVECAR files for continuing jobs

Last post by admin « Fri Mar 22, 2013 6:30 pm
Replies: 1
by dvinichenko » Mon Mar 18, 2013 11:04 pm

1 Replies

2154 Views

Last post by admin
Fri Mar 22, 2013 6:30 pm
Collective abort of all ranks

Last post by gVallverdu « Thu Mar 21, 2013 4:33 pm
Replies: 5
by gVallverdu » Fri Mar 15, 2013 11:56 am

5 Replies

5504 Views

Last post by gVallverdu
Thu Mar 21, 2013 4:33 pm
internal ERROR: DEPLE: IRDMAX must be increased to 0

Last post by Danny « Fri Mar 15, 2013 3:35 pm
Replies: 1
by Danny » Wed Mar 13, 2013 11:57 pm

1 Replies

3438 Views

Last post by Danny
Fri Mar 15, 2013 3:35 pm
Why do CHGCAR have negative charge?

Last post by Danny « Fri Mar 15, 2013 3:30 pm
Replies: 4
by Benton » Thu Apr 24, 2008 12:05 pm

4 Replies

5325 Views

Last post by Danny
Fri Mar 15, 2013 3:30 pm
vasp 5.3.3 bug in call to routine DENSTA in main.F - missing argument

Last post by admin « Fri Mar 15, 2013 2:34 pm
Replies: 1
by pblanko » Thu Feb 28, 2013 4:10 am

1 Replies

2251 Views

Last post by admin
Fri Mar 15, 2013 2:34 pm
Explanation of " Charge density could not be read from file CHGCAR for ICHARG>10 " error message

Last post by duncand « Tue Mar 12, 2013 3:09 pm
Replies: 1
by hess8 » Tue Oct 25, 2011 9:52 pm

1 Replies

14459 Views

Last post by duncand
Tue Mar 12, 2013 3:09 pm
Error with non-self-consistent calculations on Vasp 5.3.3

Last post by duncand « Tue Mar 12, 2013 12:11 am
Replies: 2
by duncand » Mon Feb 25, 2013 8:21 pm

2 Replies

3541 Views

Last post by duncand
Tue Mar 12, 2013 12:11 am
LSORBIT = .TRUE.: PARCHG problem

Last post by yuuukuma « Thu Mar 07, 2013 8:42 am
Replies: 1
by blazing » Fri Jan 04, 2013 2:23 pm

1 Replies

2903 Views

Last post by yuuukuma
Thu Mar 07, 2013 8:42 am
forrtl: severe (41): insufficient virtual memory

Last post by nuten « Fri Mar 01, 2013 7:01 am
Replies: 1
by qianbon » Fri Dec 14, 2012 8:31 am

1 Replies

4606 Views

Last post by nuten
Fri Mar 01, 2013 7:01 am
Converge Problem when Using the AM05 Functional

Last post by admin « Mon Feb 25, 2013 5:22 pm
Replies: 1
by pcntsfad » Mon Feb 25, 2013 1:37 pm

1 Replies

2726 Views

Last post by admin
Mon Feb 25, 2013 5:22 pm
Total energy difference between VASP5.2.12 et VASP5.3.3

Last post by mrubes « Sat Feb 23, 2013 3:22 am
Replies: 8
by mrubes » Mon Feb 11, 2013 10:17 am

8 Replies

4565 Views

Last post by mrubes
Sat Feb 23, 2013 3:22 am

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