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Error during band structure calculation

Last post by ApolloYang « Fri Apr 13, 2012 9:22 am
Replies: 3
by magal » Wed Apr 11, 2012 1:23 pm

3 Replies

6906 Views

Last post by ApolloYang
Fri Apr 13, 2012 9:22 am
"ZPOTRF failed!" occurs before first step in PBE+U calc when ISIF=2, but is ok when ISIF=1

Last post by dhfphysics « Thu Apr 12, 2012 6:01 pm
Replies: 2
by dhfphysics » Wed Dec 21, 2011 11:33 pm

2 Replies

6963 Views

Last post by dhfphysics
Thu Apr 12, 2012 6:01 pm
MPI_Cart_create(

Last post by admin « Thu Mar 29, 2012 2:01 pm
Replies: 1
by qpbh08137 » Tue Mar 27, 2012 8:38 am

1 Replies

5047 Views

Last post by admin
Thu Mar 29, 2012 2:01 pm
changing OUTCAR to CONTCAR??

Last post by Leny « Wed Mar 28, 2012 2:05 am
Replies: 2
by Leny » Tue Mar 27, 2012 4:05 pm

2 Replies

5139 Views

Last post by Leny
Wed Mar 28, 2012 2:05 am
Scalability and parallel performance with hybrid functionals

Last post by hipertrofia « Mon Mar 26, 2012 9:19 pm
Replies: 2
by hipertrofia » Mon Mar 26, 2012 3:51 am

2 Replies

5661 Views

Last post by hipertrofia
Mon Mar 26, 2012 9:19 pm
[VASP 5.2.11] bug or feature? PDOS for WC

Last post by maksim « Thu Mar 22, 2012 3:33 pm
Replies: 1
by maksim » Mon Feb 27, 2012 9:29 am

1 Replies

4449 Views

Last post by maksim
Thu Mar 22, 2012 3:33 pm
Problem with using EFIELD_PEAD for MD and relaxation

Last post by Li Huang « Sat Mar 17, 2012 2:58 am
Replies: 1
by huangj3 » Wed Oct 26, 2011 7:40 pm

1 Replies

4727 Views

Last post by Li Huang
Sat Mar 17, 2012 2:58 am
IERR=0 Error reading item 'MAGMOM'

Last post by leonabdalla « Wed Mar 14, 2012 11:28 pm
Replies: 3
by bth20 » Tue Sep 13, 2005 12:11 pm

3 Replies

17007 Views

Last post by leonabdalla
Wed Mar 14, 2012 11:28 pm
Bandstructure with HSE (2)

Last post by VASP001 « Sun Mar 11, 2012 1:37 pm
Replies: 3
by PCS » Mon Jun 28, 2010 2:18 pm

3 Replies

12053 Views

Last post by VASP001
Sun Mar 11, 2012 1:37 pm
error in running vasp in parallel

Last post by alex « Mon Mar 05, 2012 9:48 am
Replies: 1
by pgoyal » Mon Mar 05, 2012 6:40 am

1 Replies

4732 Views

Last post by alex
Mon Mar 05, 2012 9:48 am
GGA tag

Last post by admin « Mon Feb 27, 2012 1:13 pm
Replies: 7
by alexabr » Tue Aug 21, 2007 9:33 am

7 Replies

19445 Views

Last post by admin
Mon Feb 27, 2012 1:13 pm
difference between 4.x and 5.x

Last post by seaso « Fri Feb 24, 2012 4:07 am
Replies: 4
by autieri » Mon Nov 28, 2011 8:06 pm

4 Replies

7553 Views

Last post by seaso
Fri Feb 24, 2012 4:07 am
Dispersion corrected total energy of supercell is not scaling correctly for Cu surface (VASP 5.2.12)

Last post by dsawei « Wed Feb 22, 2012 10:42 pm
Replies: 4
by dsawei » Thu Feb 16, 2012 11:47 pm

4 Replies

8354 Views

Last post by dsawei
Wed Feb 22, 2012 10:42 pm
Ionic relaxation problem (VASP 5.2.11)

Last post by asaduzza « Thu Feb 16, 2012 7:05 pm
Replies: 9
by superyoyo » Thu Feb 24, 2011 8:56 am

9 Replies

21656 Views

Last post by asaduzza
Thu Feb 16, 2012 7:05 pm
Error EDDDAV: Call to ZHEGV failed. Returncode = 25 2 8

Last post by mafarhan « Tue Jan 31, 2012 5:09 am
Replies: 1
by rashmi » Thu Jun 16, 2011 8:56 am

1 Replies

5655 Views

Last post by mafarhan
Tue Jan 31, 2012 5:09 am
Relaxation issue with vasp5.2.11 and 5.2.12 compiled with Intel v.12

Last post by admin « Fri Jan 20, 2012 11:34 am
Replies: 1
by Vahid Askarpour » Thu Dec 15, 2011 7:18 pm

1 Replies

4359 Views

Last post by admin
Fri Jan 20, 2012 11:34 am
Stucked problem on B3LYP calculation

Last post by admin « Fri Jan 20, 2012 11:22 am
Replies: 1
by Lee » Mon Jan 09, 2012 10:37 am

1 Replies

4704 Views

Last post by admin
Fri Jan 20, 2012 11:22 am
Energy differences among different unit cells of the same structure

Last post by alex « Fri Jan 20, 2012 10:07 am
Replies: 4
by Fm3m » Tue Jan 17, 2012 11:15 pm

4 Replies

6610 Views

Last post by alex
Fri Jan 20, 2012 10:07 am
HSE magnetic calculations problem

Last post by husl « Fri Jan 06, 2012 2:34 pm
Replies: 4
by husl » Tue Jan 03, 2012 10:33 am

4 Replies

8899 Views

Last post by husl
Fri Jan 06, 2012 2:34 pm
Parallelization issue

Last post by westover « Wed Dec 28, 2011 11:45 am
Replies: 3
by westover » Tue Dec 27, 2011 5:46 am

3 Replies

5604 Views

Last post by westover
Wed Dec 28, 2011 11:45 am

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