Search found 6 matches
- Thu Oct 17, 2019 8:07 am
- Forum: Running the code
- Topic: filkf and filqf
- Replies: 1
- Views: 3983
filkf and filqf
Hi EPW community; How we can generate files for filkf and filqf like below. I have taken this from an example. But when I generate my grid using wannier kmesh.pl, xcrysden or use some existed kpath.py. I cant generate the file like this and code did't give me reuslt. Thanks in avdance. 100 crystal 0 ...
- Fri Sep 13, 2019 9:18 am
- Forum: Running the code
- Topic: Size Mismatch
- Replies: 8
- Views: 8184
Re: Size Mismatch
Respected Roxana:
Firstly, I was using PSP( GGA/PBE) from quantum espresso https://www.quantum-espresso.org/pseudopotentials. Then I wanted to try LDA/Norm conserving But I didn't get these from this QE address. So, I have created PSP from the atomistic module of QE. But the error remains the same.
Firstly, I was using PSP( GGA/PBE) from quantum espresso https://www.quantum-espresso.org/pseudopotentials. Then I wanted to try LDA/Norm conserving But I didn't get these from this QE address. So, I have created PSP from the atomistic module of QE. But the error remains the same.
- Thu Sep 12, 2019 7:14 am
- Forum: Running the code
- Topic: Size Mismatch
- Replies: 8
- Views: 8184
Re: Size Mismatch
Most Respected Roxana;
I was using QE 6.3 and EPW 4.1 but now I have installed Quantum ESPRESSO 6.4 and EPW 5.1 but the error remains exit.
I was using QE 6.3 and EPW 4.1 but now I have installed Quantum ESPRESSO 6.4 and EPW 5.1 but the error remains exit.
- Tue Sep 10, 2019 7:59 pm
- Forum: Running the code
- Topic: Size Mismatch
- Replies: 8
- Views: 8184
Re: Size Mismatch
here is my nscf file &CONTROL calculation = 'scf' prefix = 'SnSe2' restart_mode = 'from_scratch' pseudo_dir = './', outdir ='./', verbosity = 'high' tprnfor = .true. tstress = .true. / &SYSTEM a = 3.87328e+00 c = 6.90474e+00 degauss = 5.00000e-02 ecutrho = 9.00000e+02 ecutwfc = 9.00000e+01 ibrav = 4 ...
- Tue Sep 10, 2019 7:51 pm
- Forum: Running the code
- Topic: Size Mismatch
- Replies: 8
- Views: 8184
Re: Size Mismatch
Thx Hari Paudyal. It's actually epw.out file is ``:oss/ `.+s+. .+ys--yh+ `./ss+. -sh//yy+` +yy +yy -+h+-oyy -yh- .oyy/.-sh. .syo-.:sy- /yh `.-.` `yh+ -oyyyo. `/syys: oys `.` `/+ssys+-` `sh+ ` oys` .syo` -yh- ./syyooyo` .sys+/oyo--yh/ `yy+ .-:-. `-/+/:` -sh- /yh. oys ``..---hho ...
- Tue Sep 03, 2019 1:16 pm
- Forum: Running the code
- Topic: Size Mismatch
- Replies: 8
- Views: 8184
Size Mismatch
Hi, When I run EPW code for SnSe2. It gives a size mismatch error. I have tried many time and many things but the error still exists. Please help me out. I shall be thankful to you. Here is my epw input file. -- &inputepw prefix = 'SnSe2' amass(1) = 118.71 amass(2) = 78.96 outdir = './' dvscf_dir ...