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Ce diffusing in Na MD calculation, hard to converge

Last post by Neutrino « Fri Apr 03, 2015 4:18 pm
Replies: 1
by XiangLi » Fri Mar 27, 2015 3:07 am

1 Replies

4429 Views

Last post by Neutrino
Fri Apr 03, 2015 4:18 pm
B3LYP and parallelization problem/potential bug

Last post by admin « Wed Apr 01, 2015 10:10 am
Replies: 15
by andydihao » Tue Mar 24, 2015 1:45 pm
1

2
15 Replies

16382 Views

Last post by admin
Wed Apr 01, 2015 10:10 am
Exit Code 9

Last post by ajeyvenkat091 « Mon Mar 23, 2015 5:54 pm
Replies: 4
by ajeyvenkat091 » Thu Mar 12, 2015 1:01 am

4 Replies

10283 Views

Last post by ajeyvenkat091
Mon Mar 23, 2015 5:54 pm
compileation error of version 5.3.5

Last post by walker11 « Fri Mar 20, 2015 10:51 am
Replies: 1
by jjhskang » Fri Jul 04, 2014 4:34 am

1 Replies

4930 Views

Last post by walker11
Fri Mar 20, 2015 10:51 am
Bugreport: Output format field widths are not set properly

Last post by admin « Thu Mar 19, 2015 12:05 pm
Replies: 1
by tomic » Wed Mar 18, 2015 4:45 pm

1 Replies

4053 Views

Last post by admin
Thu Mar 19, 2015 12:05 pm
How do you write TMPCAR?

Last post by admin « Tue Feb 24, 2015 1:28 pm
Replies: 1
by aethomps » Mon Feb 23, 2015 11:36 pm

1 Replies

4089 Views

Last post by admin
Tue Feb 24, 2015 1:28 pm
very strange behavior in Tkatchenko and Scheffler VDW

Last post by admin « Thu Feb 19, 2015 11:51 am
Replies: 4
by vbellini » Fri Feb 13, 2015 10:22 am

4 Replies

6756 Views

Last post by admin
Thu Feb 19, 2015 11:51 am
LWANNIER90 issue with KPOINTS file

Last post by cantele « Wed Feb 18, 2015 10:27 am
Replies: 5
by cantele » Tue Feb 10, 2015 9:42 am

5 Replies

11961 Views

Last post by cantele
Wed Feb 18, 2015 10:27 am
Calculations do not start when defining TS VDW parameters

Last post by admin « Mon Feb 16, 2015 8:40 am
Replies: 1
by karthipitt » Wed Feb 11, 2015 8:39 pm

1 Replies

4324 Views

Last post by admin
Mon Feb 16, 2015 8:40 am
Problem in HSE run

Last post by psriv « Wed Jan 28, 2015 10:23 am
Replies: 2
by psriv » Tue Sep 02, 2014 5:25 am

2 Replies

5363 Views

Last post by psriv
Wed Jan 28, 2015 10:23 am
Error on DFT+U for LiCoO2 system

Last post by ashkan_mc « Sat Jan 17, 2015 11:45 am
Replies: 2
by ashkan_mc » Thu Jan 15, 2015 12:44 pm

2 Replies

6069 Views

Last post by ashkan_mc
Sat Jan 17, 2015 11:45 am
PBE + U

Last post by admin « Thu Dec 18, 2014 1:04 pm
Replies: 1
by MCV » Wed Dec 17, 2014 7:54 pm

1 Replies

5498 Views

Last post by admin
Thu Dec 18, 2014 1:04 pm
writing selfenergy in SCGW

Last post by admin « Mon Dec 15, 2014 3:09 pm
Replies: 1
by feihoon » Sun Dec 14, 2014 4:35 pm

1 Replies

4425 Views

Last post by admin
Mon Dec 15, 2014 3:09 pm
RAMAN spectroscopy in VASP

Last post by alex « Mon Dec 15, 2014 12:21 pm
Replies: 2
by sislam » Mon Nov 10, 2014 1:15 am

2 Replies

11678 Views

Last post by alex
Mon Dec 15, 2014 12:21 pm
Problems with localized f-electrons

Last post by admin « Tue Dec 02, 2014 4:36 pm
Replies: 4
by marsoner » Fri May 30, 2014 3:18 am

4 Replies

6793 Views

Last post by admin
Tue Dec 02, 2014 4:36 pm
Is there a limit for the number of cores which can run with NPAR = No. cores?

Last post by zzhlax « Tue Dec 02, 2014 5:28 am
Replies: 3
by hipertrofia » Mon Apr 28, 2014 7:25 pm

3 Replies

5660 Views

Last post by zzhlax
Tue Dec 02, 2014 5:28 am
internal ERROR: LINEAR_RESPONSE_DIIS matrix is zero, try to

Last post by maartendft « Sat Nov 29, 2014 8:04 pm
Replies: 2
by maartendft » Thu Nov 27, 2014 1:20 am

2 Replies

6580 Views

Last post by maartendft
Sat Nov 29, 2014 8:04 pm
convergence of chemical shift calculus

Last post by admin « Wed Nov 26, 2014 2:45 pm
Replies: 1
by Francois Vivet » Wed Nov 12, 2014 7:38 pm

1 Replies

4567 Views

Last post by admin
Wed Nov 26, 2014 2:45 pm
units of total charge in OUTCAR

Last post by nwan « Wed Nov 12, 2014 1:18 pm
Replies: 1
by freshwind » Thu Oct 30, 2014 9:22 pm

1 Replies

7045 Views

Last post by nwan
Wed Nov 12, 2014 1:18 pm
Two subroutines to calculate Born Effective Charges

Last post by whzhang « Sat Oct 25, 2014 3:51 pm
Replies: 1
by whzhang » Sat Oct 18, 2014 5:13 pm

1 Replies

3800 Views

Last post by whzhang
Sat Oct 25, 2014 3:51 pm

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