Dear Artur,
A (hopefully) stable version of EPW has been release in QE 5.4.0.
Best,
Samuel
Search found 616 matches
- Tue Apr 26, 2016 11:27 am
- Forum: Running the code
- Topic: Question about EPW 3.0 -physically meaningful results for Pb
- Replies: 3
- Views: 4868
- Tue Apr 19, 2016 2:05 pm
- Forum: Running the code
- Topic: Error message: dis_spheres_first_wann is larger than num_ban
- Replies: 6
- Views: 9246
Re: Error message: dis_spheres_first_wann is larger than num
Dear Alaska,
Happy to hear that it worked for you.
Best,
Samuel
Happy to hear that it worked for you.
Best,
Samuel
- Mon Apr 11, 2016 12:47 pm
- Forum: Compilation
- Topic: control_lr and several other missing modules for EPW-4
- Replies: 7
- Views: 11126
Re: control_lr and several other missing modules for EPW-4
Dear Vahid,
The information is correct. You need pw, ph and w90. You also need the modules and library they rely on. You do not need TDDFPT.
I recommend:
and then make epw.
Best,
Samuel
The information is correct. You need pw, ph and w90. You also need the modules and library they rely on. You do not need TDDFPT.
I recommend:
Code: Select all
./configure
make pwall
make ph
and then make epw.
Best,
Samuel
- Mon Apr 11, 2016 12:44 pm
- Forum: Running the code
- Topic: Error message: dis_spheres_first_wann is larger than num_ban
- Replies: 6
- Views: 9246
Re: Error message: dis_spheres_first_wann is larger than num
Dear Woohyun Han, Depending on which version of QE you have, you can either do: 1) In QE/ make distclean ./configure make pwall make ph make epw If the version is a bit old, you can do 2) In QE/ make distclean ./configure make pwall make ph 3) In QE/EPW/src/ make Could you do that and tell me if you...
- Tue Apr 05, 2016 3:00 pm
- Forum: Compilation
- Topic: Complie error for EPW-4
- Replies: 4
- Views: 7278
Re: Complie error for EPW-4
Glad to hear it !
Best,
Samuel
Best,
Samuel
- Mon Apr 04, 2016 11:42 am
- Forum: Running the code
- Topic: Increase of accuracy
- Replies: 14
- Views: 12735
Re: Increase of accuracy
Dear Ali, The last column is the weight of the q-point. It is not the issue here. You should provide the exact same list of q-points as during the phonon calculations you did (8x8x8). Look at the output of your ph calculation, the q-point list should be written. Also, in the phonon folder, don't for...
- Sun Apr 03, 2016 12:33 pm
- Forum: Running the code
- Topic: Increase of accuracy
- Replies: 14
- Views: 12735
Re: Increase of accuracy
Dear Ali, Please also update your q-grid in the EPW input file. 16 cartesian 0.000000000000 0.000000000000 0.000000000000 0.0092593 -0.166666666667 0.166666666667 -0.166666666667 0.0740741 -0.333333333333 0.333333333333 -0.333333333333 0.0740741 0.500000000000 -0.500000000000 0.500000000000 0.037037...
- Thu Mar 24, 2016 1:34 pm
- Forum: Running the code
- Topic: Seeking suggestion on Wannierization
- Replies: 18
- Views: 18576
Re: Seeking suggestion on Wannierization
Hi krisghosh, I quite surprise that disentanglement did not give you the correct result. At this stage I can suggest you to try with the latest version of QE and EPW v4. If you have access to the trunk of QE, you can download them from there. EPW is currently in the trunk of QE on qe-forge: m Howeve...
- Thu Mar 24, 2016 12:13 pm
- Forum: Running the code
- Topic: Seeking suggestion on Wannierization
- Replies: 18
- Views: 18576
Re: Seeking suggestion on Wannierization
Hi krisghosh, Maybe you could try something like that ? wannierize = .true. num_iter = 300 nbndsub = 2 nbndskip = 44 iprint = 4 dis_win_max = XX dis_win_min = XX dis_froz_min= XX dis_froz_max= XX proj(1) = 'f=0.658754,0.341246,0.313824:s' Where you have to replace the XX by values relevant to your p...
- Wed Mar 23, 2016 8:15 pm
- Forum: Running the code
- Topic: Seeking suggestion on Wannierization
- Replies: 18
- Views: 18576
Re: Seeking suggestion on Wannierization
Dear Krishnendu,
Could you tell me which version of QE and EPW you are using?
Could you also share your input file.
Best,
Samuel
Could you tell me which version of QE and EPW you are using?
Could you also share your input file.
Best,
Samuel