[QE-users] running error

where is the mistake with regards Haider Abbas ___ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful

[QE-users] running error with ubuntu-20.04

ame error. I sought your help. with regards Haider Abbas ___ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users

[QE-users] modeling of chemical reaction

o treats the phenomena of bond making and breaking. How its results are comparable with the MCSCF calculations with some other packages if anybody did it so far. regards Haider Abbas ___ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espr

Re: [QE-users] users Digest, Vol 146, Issue 20

only. waiting for your response eagerly. with regards Haider Abbas On Sat, Sep 28, 2019 at 3:31 PM wrote: > Send users mailing list submissions to > users@lists.quantum-espresso.org > > To subscribe or unsubscribe via the World Wide Web, visit > https://lists

[QE-users] problems in graphene simulation

contribution of hydrogen atoms only. 2 S contribution of carbon is missing. with regards Haider Abbas density.pbe.pdos.pdos_tot Description: Binary data ___ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list users

[QE-users] error in running bands.x

mgrace. I just want to know that whether I am on the right path or not? I sought you help thanking in advance Haider Abbas ___ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list users@lists.quantum-espresso.org ht

[QE-users] running error (cannot read atomic specie from: ATOMIC_POSITIONS angstrom)

to overcome this problem. regards Haider Abbas ___ users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users

[QE-users] symbol lookup error

overcome this Problem. with regards Haider abbas Department of Physics Manav Rachna University Faridabad, Haryana, India ___ users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users

[QE-users] shared library error

Dear all, I have prepared a 10 node cluster (each having 4 core). I have installed GAMESS and QUANTUM ESPRESSO. Gamess is running fine, but when I run quantum espresso with the command mpiexec -n 4 ./pw.x -i relax2.in > out.out & I get no error and everything is fine. And the job run on all 4