Using VASP

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convergence problem with 3d 4d transition metal

Last post by admin « Mon Apr 11, 2016 3:34 pm
Replies: 3
by ljzhang123 » Mon Mar 28, 2016 5:05 am

3 Replies

3178 Views

Last post by admin
Mon Apr 11, 2016 3:34 pm
Confused results of bader charge analysis for MnO2

Last post by admin « Mon Apr 11, 2016 11:48 am
Replies: 1
by jbliu » Sat Apr 09, 2016 4:20 pm

1 Replies

3694 Views

Last post by admin
Mon Apr 11, 2016 11:48 am
Clarification on GW method in VASP

Last post by askhetan « Fri Apr 08, 2016 2:01 pm
Replies: 4
by askhetan » Wed Mar 30, 2016 6:35 pm

4 Replies

5850 Views

Last post by askhetan
Fri Apr 08, 2016 2:01 pm
DOS calculation - which ALGO

Last post by admin « Wed Apr 06, 2016 9:46 am
Replies: 1
by fiori » Thu Mar 31, 2016 12:41 pm

1 Replies

2862 Views

Last post by admin
Wed Apr 06, 2016 9:46 am
How to analyze the running time in one ionic step?

Last post by admin « Tue Apr 05, 2016 10:52 am
Replies: 2
by byin » Thu Feb 25, 2016 5:15 pm

2 Replies

3461 Views

Last post by admin
Tue Apr 05, 2016 10:52 am
Back ground charge

Last post by admin « Fri Apr 01, 2016 12:45 pm
Replies: 1
by szvasp » Tue Mar 15, 2016 1:57 pm

1 Replies

3137 Views

Last post by admin
Fri Apr 01, 2016 12:45 pm
How to calculate the ion adsorption energy on a surface?

Last post by admin « Fri Mar 18, 2016 1:15 pm
Replies: 1
by sunsr » Fri Mar 18, 2016 7:34 am

1 Replies

3488 Views

Last post by admin
Fri Mar 18, 2016 1:15 pm
Electronic SCF fails for oxide tio2

Last post by satish2414 « Tue Mar 15, 2016 8:25 pm
Replies: 4
by satish2414 » Wed Nov 18, 2015 6:40 pm

4 Replies

3657 Views

Last post by satish2414
Tue Mar 15, 2016 8:25 pm
Problems in Fe clean surface optimization

Last post by alex « Thu Mar 10, 2016 6:28 pm
Replies: 3
by luisazofra » Tue Mar 08, 2016 4:43 pm

3 Replies

3865 Views

Last post by alex
Thu Mar 10, 2016 6:28 pm
Charge density in geometry optimization

Last post by zzhlax « Thu Mar 03, 2016 10:22 pm
Replies: 2
by zzhlax » Sun Feb 28, 2016 8:05 am

2 Replies

2769 Views

Last post by zzhlax
Thu Mar 03, 2016 10:22 pm
File format of CHGCAR in a spin-polarized calculation

Last post by admin « Tue Mar 01, 2016 1:36 pm
Replies: 1
by sjtuzhanglei » Sun Feb 14, 2016 9:02 pm

1 Replies

3010 Views

Last post by admin
Tue Mar 01, 2016 1:36 pm
Band structure after GW

Last post by admin « Tue Mar 01, 2016 11:42 am
Replies: 1
by dilnaazhikodan » Tue Feb 09, 2016 6:43 pm

1 Replies

2530 Views

Last post by admin
Tue Mar 01, 2016 11:42 am
What is EATOM means?

Last post by admin « Mon Feb 29, 2016 4:21 pm
Replies: 1
by ArtKa » Mon Feb 29, 2016 12:30 pm

1 Replies

4889 Views

Last post by admin
Mon Feb 29, 2016 4:21 pm
Metadynamics does not run, error: DYNCONSTR%%HILLS_METHOD

Last post by psriv « Fri Feb 26, 2016 1:00 pm
Replies: 2
by psriv » Thu Feb 25, 2016 2:25 pm

2 Replies

3014 Views

Last post by psriv
Fri Feb 26, 2016 1:00 pm
Charged vacancies

Last post by kambiz1983 « Sat Feb 20, 2016 11:08 am
Replies: 2
by kambiz1983 » Thu Feb 18, 2016 7:03 am

2 Replies

4508 Views

Last post by kambiz1983
Sat Feb 20, 2016 11:08 am
Charged slabs: restrict background charge to material region

Last post by admin « Thu Feb 18, 2016 2:07 pm
Replies: 1
by hat343 » Thu Feb 18, 2016 2:04 am

1 Replies

2614 Views

Last post by admin
Thu Feb 18, 2016 2:07 pm
CHGCAR structure

Last post by sjtuzhanglei « Sun Feb 14, 2016 8:54 pm
Replies: 2
by opvu » Tue May 09, 2006 4:50 pm

2 Replies

4332 Views

Last post by sjtuzhanglei
Sun Feb 14, 2016 8:54 pm
Vacuum level for G0W0

Last post by huangj3 « Fri Feb 12, 2016 12:42 am
Replies: 1
by huangj3 » Wed Feb 10, 2016 10:27 pm

1 Replies

2358 Views

Last post by huangj3
Fri Feb 12, 2016 12:42 am
tot magnetization

Last post by saidah « Mon Feb 08, 2016 5:17 am
Replies: 2
by saidah » Tue Jan 26, 2016 5:25 pm

2 Replies

2981 Views

Last post by saidah
Mon Feb 08, 2016 5:17 am
NPAR for GW0

Last post by huangj3 « Tue Feb 02, 2016 7:31 pm
Replies: 2
by huangj3 » Fri Jan 29, 2016 6:08 pm

2 Replies

2747 Views

Last post by huangj3
Tue Feb 02, 2016 7:31 pm

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