Using VASP

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POSCAR file for an alloy

Last post by Danny « Fri Feb 24, 2012 2:24 am
Replies: 3
by hpaudel » Fri Feb 17, 2012 9:41 pm

3 Replies

4120 Views

Last post by Danny
Fri Feb 24, 2012 2:24 am
N-N-distances

Last post by zaz « Thu Feb 23, 2012 6:16 pm
Replies: 1
by zaz » Thu Feb 23, 2012 6:14 pm

1 Replies

1673 Views

Last post by zaz
Thu Feb 23, 2012 6:16 pm
what is the unit of charge density?

Last post by Danny « Mon Feb 20, 2012 2:53 pm
Replies: 1
by renqinzhang » Mon Feb 20, 2012 7:26 am

1 Replies

2567 Views

Last post by Danny
Mon Feb 20, 2012 2:53 pm
KPOINTS

Last post by Venkatesh Botu « Thu Feb 16, 2012 8:26 pm
Replies: 2
by rezorva » Fri Jan 27, 2012 12:42 pm

2 Replies

2126 Views

Last post by Venkatesh Botu
Thu Feb 16, 2012 8:26 pm
chemical potential of O and H in aqueous solution

Last post by Venkatesh Botu « Thu Feb 16, 2012 8:25 pm
Replies: 1
by devounoide » Sat Feb 11, 2012 9:32 pm

1 Replies

2665 Views

Last post by Venkatesh Botu
Thu Feb 16, 2012 8:25 pm
pseudopotentials

Last post by Vahid Askarpour « Tue Feb 14, 2012 8:50 pm
Replies: 2
by snow » Fri Feb 10, 2012 10:10 pm

2 Replies

2175 Views

Last post by Vahid Askarpour
Tue Feb 14, 2012 8:50 pm
pos2rdf script

Last post by graeme « Tue Feb 14, 2012 4:31 pm
Replies: 5
by ccccc » Thu Feb 09, 2012 2:22 pm

5 Replies

5612 Views

Last post by graeme
Tue Feb 14, 2012 4:31 pm
default units for RWIGS in INCAR?

Last post by vaspisgood « Tue Feb 14, 2012 3:20 pm
Replies: 3
by wyxsdu » Thu Apr 20, 2006 1:41 am

3 Replies

4571 Views

Last post by vaspisgood
Tue Feb 14, 2012 3:20 pm
enforcing electron configuration for a free Pb atom

Last post by cmm « Tue Feb 14, 2012 10:30 am
Replies: 2
by cmm » Mon Feb 06, 2012 5:37 pm

2 Replies

2972 Views

Last post by cmm
Tue Feb 14, 2012 10:30 am
Does VASP have the function of the virtual crystal approximation (VCA)?

Last post by oja « Fri Feb 10, 2012 4:24 pm
Replies: 2
by tfl » Thu Aug 04, 2011 4:21 pm

2 Replies

4829 Views

Last post by oja
Fri Feb 10, 2012 4:24 pm
Running Birch Murnaghan

Last post by jber « Fri Feb 10, 2012 10:08 am
Replies: 4
by jess » Wed Feb 08, 2012 1:01 am

4 Replies

7017 Views

Last post by jber
Fri Feb 10, 2012 10:08 am
OPTIC in HSE calculation

Last post by superyoyo « Fri Feb 10, 2012 8:49 am
Replies: 2
by superyoyo » Tue Jun 14, 2011 6:40 pm

2 Replies

2902 Views

Last post by superyoyo
Fri Feb 10, 2012 8:49 am
HSE06 Freezes

Last post by superyoyo « Fri Feb 10, 2012 5:18 am
Replies: 1
by duncand » Tue Jan 17, 2012 12:41 am

1 Replies

3834 Views

Last post by superyoyo
Fri Feb 10, 2012 5:18 am
phonon frequencies outcar shows a different trend

Last post by vistawanted « Wed Feb 08, 2012 6:05 pm
Replies: 3
by satish2414 » Sat Jan 28, 2012 8:58 am

3 Replies

3717 Views

Last post by vistawanted
Wed Feb 08, 2012 6:05 pm
geometric optimization without selective dynamics...

Last post by Danny « Wed Feb 08, 2012 4:51 pm
Replies: 1
by rezorva » Fri Jan 27, 2012 3:03 pm

1 Replies

2135 Views

Last post by Danny
Wed Feb 08, 2012 4:51 pm
VASP Optimisation

Last post by Danny « Wed Feb 08, 2012 4:24 pm
Replies: 1
by kugan75 » Sat Feb 04, 2012 9:47 pm

1 Replies

1859 Views

Last post by Danny
Wed Feb 08, 2012 4:24 pm
Dimer method questions

Last post by gjenness « Wed Feb 08, 2012 1:48 am
Replies: 2
by gjenness » Tue Feb 07, 2012 9:53 pm

2 Replies

3153 Views

Last post by gjenness
Wed Feb 08, 2012 1:48 am
phonon outcar

Last post by satish2414 « Mon Feb 06, 2012 6:53 pm
Replies: 3
by satish2414 » Wed Jan 25, 2012 8:29 am

3 Replies

2787 Views

Last post by satish2414
Mon Feb 06, 2012 6:53 pm
Layer calculation/ Background charge

Last post by tlchan « Mon Feb 06, 2012 5:13 am
Replies: 3
by ivan » Wed Jan 25, 2012 12:03 pm

3 Replies

3529 Views

Last post by tlchan
Mon Feb 06, 2012 5:13 am
rundos/kpoints

Last post by ziulfer « Fri Feb 03, 2012 5:40 pm
Replies: 5
by phtobias » Fri May 12, 2006 1:24 am

5 Replies

6552 Views

Last post by ziulfer
Fri Feb 03, 2012 5:40 pm

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